prop-1-en-2-amine;(3Z,5E)-5,9,9-trimethyl-7-methylidene-N-[(3E)-3-[(E)-2-(methylideneamino)-1-[methyl(2-methylprop-2-enyl)amino]ethenyl]iminopenta-1,4-dien-2-yl]-3-[(Z)-prop-1-enyl]deca-3,5-dien-1-amine

C33H53N5 — CID 143346546

IUPACprop-1-en-2-amine;(3Z,5E)-5,9,9-trimethyl-7-methylidene-N-[(3E)-3-[(E)-2-(methylideneamino)-1-[methyl(2-methylprop-2-enyl)amino]ethenyl]iminopenta-1,4-dien-2-yl]-3-[(Z)-prop-1-enyl]deca-3,5-dien-1-amine
SMILESC=C(C)N.C=C/C(=N\C(=C\N=C)N(C)CC(=C)C)C(=C)NCCC(/C=C\C)=C/C(C)=C/C(=C)CC(C)(C)C
InChIInChI=1S/C30H46N4.C3H7N/c1-13-15-27(19-24(5)18-25(6)20-30(8,9)10)16-17-32-26(7)28(14-2)33-29(21-31-11)34(12)22-23(3)4;1-3(2)4/h13-15,18-19,21,32H,2-3,6-7,11,16-17,20,22H2,1,4-5,8-10,12H3;1,4H2,2H3/b15-13-,24-18+,27-19+,29-21-,33-28+;
InChIKeyUZKDJWWJWXOIDD-LYGMKVPVSA-N
MW519.82 g/mol
LogP8.03
Rot. Bonds15

About prop-1-en-2-amine;(3Z,5E)-5,9,9-trimethyl-7-methylidene-N-[(3E)-3-[(E)-2-(methylideneamino)-1-[methyl(2-methylprop-2-enyl)amino]ethenyl]iminopenta-1,4-dien-2-yl]-3-[(Z)-prop-1-enyl]deca-3,5-dien-1-amine

prop-1-en-2-amine;(3Z,5E)-5,9,9-trimethyl-7-methylidene-N-[(3E)-3-[(E)-2-(methylideneamino)-1-[methyl(2-methylprop-2-enyl)amino]ethenyl]iminopenta-1,4-dien-2-yl]-3-[(Z)-prop-1-enyl]deca-3,5-dien-1-amine (PubChem CID 143346546) has the molecular formula C33H53N5 and a molecular weight of 519.82 g/mol. Its IUPAC name is prop-1-en-2-amine;(3Z,5E)-5,9,9-trimethyl-7-methylidene-N-[(3E)-3-[(E)-2-(methylideneamino)-1-[methyl(2-methylprop-2-enyl)amino]ethenyl]iminopenta-1,4-dien-2-yl]-3-[(Z)-prop-1-enyl]deca-3,5-dien-1-amine.

Molecular Properties

Compound Nameprop-1-en-2-amine;(3Z,5E)-5,9,9-trimethyl-7-methylidene-N-[(3E)-3-[(E)-2-(methylideneamino)-1-[methyl(2-methylprop-2-enyl)amino]ethenyl]iminopenta-1,4-dien-2-yl]-3-[(Z)-prop-1-enyl]deca-3,5-dien-1-amine
PubChem CID143346546
Molecular FormulaC33H53N5
Molecular Weight519.82 g/mol
Exact Mass519.43
IUPAC Nameprop-1-en-2-amine;(3Z,5E)-5,9,9-trimethyl-7-methylidene-N-[(3E)-3-[(E)-2-(methylideneamino)-1-[methyl(2-methylprop-2-enyl)amino]ethenyl]iminopenta-1,4-dien-2-yl]-3-[(Z)-prop-1-enyl]deca-3,5-dien-1-amine
SMILESC=C(C)N.C=C/C(=N\C(=C\N=C)N(C)CC(=C)C)C(=C)NCCC(/C=C\C)=C/C(C)=C/C(=C)CC(C)(C)C
InChIInChI=1S/C30H46N4.C3H7N/c1-13-15-27(19-24(5)18-25(6)20-30(8,9)10)16-17-32-26(7)28(14-2)33-29(21-31-11)34(12)22-23(3)4;1-3(2)4/h13-15,18-19,21,32H,2-3,6-7,11,16-17,20,22H2,1,4-5,8-10,12H3;1,4H2,2H3/b15-13-,24-18+,27-19+,29-21-,33-28+;
InChIKeyUZKDJWWJWXOIDD-LYGMKVPVSA-N
XLogP8.03
TPSA66.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.82
LogP ≤ 58.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze prop-1-en-2-amine;(3Z,5E)-5,9,9-trimethyl-7-methylidene-N-[(3E)-3-[(E)-2-(methylideneamino)-1-[methyl(2-methylprop-2-enyl)amino]ethenyl]iminopenta-1,4-dien-2-yl]-3-[(Z)-prop-1-enyl]deca-3,5-dien-1-amine with MolForge

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Related Compounds

N,N'-dimethyl-N'-pentylethane-1,2-diamine;ethane;(3E,5Z)-N-[1-[(Z)-4-methylpent-3-en-2-ylideneamino]ethenyl]octa-3,5-dien-4-amine
CID 142562233
(3Z)-3-(dimethylamino)-5-ethenylimino-6-[[(2E,4E)-2-ethyl-4,5,8,8-tetramethyl-6-methylidenenona-2,4-dienyl]amino]-2,2-dimethylhepta-3,6-dienenitrile;prop-1-ene
CID 143342626
(2Z)-N,N-dimethyl-4-[(E)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-2-amine;ethene;methane;N-[[5-methyl-4-(2-methylidenebutyl)cyclohexa-2,4-dien-1-yl]methyl]ethenamine;(2E,4Z)-N,2,4,5-tetramethylhepta-2,4,6-trien-1-amine
CID 143342840
(Z,6E)-6-but-3-en-2-ylidene-N-[1-[(2E)-1-ethyl-2-(methylaminomethylidene)-6-prop-1-en-2-ylpyrimidin-4-yl]ethenyl]-9,9-dimethyl-7-methylidenedec-4-en-2-amine;methanamine;propane
CID 143344958
(6E)-3-ethenyl-7-methyl-8-methylidene-N-[1-(1-methyl-2-methylidene-6-prop-1-en-2-ylpyrimidin-4-yl)ethenyl]deca-3,6-dien-2-amine;prop-1-en-2-amine
CID 143345421
(3Z)-4-N-[(E)-2-aminobut-1-enyl]-4-N-methyl-6-methylimino-7-N-(2-methylpropyl)octa-3,7-diene-2,4,7-triamine;butane;(3E)-N,4-dimethyl-N-prop-1-en-2-ylhexa-1,3-dien-3-amine;ethane;2-methylpentane
CID 143345758
1-N'-[(1E,4E)-1-[(E)-1-(5-tert-butylcyclohepta-1,6-dien-1-yl)ethylideneamino]-4-methylhepta-1,4-dienyl]-1-N'-ethenyl-1-N-propylethene-1,1-diamine;N,N-dimethylmethanamine;ethane;N-methylmethanimine;molecular hydrogen;propane
CID 145194688
(1Z,3Z,6Z)-5-[(E)-1-[2-(butylamino)prop-2-enylideneamino]but-1-en-2-yl]-1-N,2-N,2-N-trimethylocta-1,3,6-triene-1,2-diamine
CID 173871046
(1Z)-1-N-[2-(butylamino)prop-2-enyl]-4-ethenyl-6-methyl-5-methylimino-2-[(1Z)-1-(1-methylpyrimidin-2-ylidene)prop-2-enyl]hepta-1,3-diene-1,3-diamine
CID 176537252
ethane;(E)-1-N-methyl-2-methylidene-4-N-[1-(propan-2-ylideneamino)ethenyl]pent-3-ene-1,4-diamine;(4Z)-2,5,7,7-tetramethyl-6-methylideneocta-2,4-diene
CID 176966733
(3Z)-3-(dimethylamino)-5-ethenylimino-6-[[(2E,4E)-2-ethyl-4,5,8,8-tetramethyl-6-methylidenenona-2,4-dienyl]amino]-2,2-dimethylhepta-3,6-dienenitrile
CID 143342627
(Z,6E)-6-but-3-en-2-ylidene-N-[1-[(2E)-1-ethyl-2-(methylaminomethylidene)-6-prop-1-en-2-ylpyrimidin-4-yl]ethenyl]-9,9-dimethyl-7-methylidenedec-4-en-2-amine
CID 143344959

Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-amine;(3Z,5E)-5,9,9-trimethyl-7-methylidene-N-[(3E)-3-[(E)-2-(methylideneamino)-1-[methyl(2-methylprop-2-enyl)amino]ethenyl]iminopenta-1,4-dien-2-yl]-3-[(Z)-prop-1-enyl]deca-3,5-dien-1-amine?
The IUPAC name of prop-1-en-2-amine;(3Z,5E)-5,9,9-trimethyl-7-methylidene-N-[(3E)-3-[(E)-2-(methylideneamino)-1-[methyl(2-methylprop-2-enyl)amino]ethenyl]iminopenta-1,4-dien-2-yl]-3-[(Z)-prop-1-enyl]deca-3,5-dien-1-amine (CID 143346546) is prop-1-en-2-amine;(3Z,5E)-5,9,9-trimethyl-7-methylidene-N-[(3E)-3-[(E)-2-(methylideneamino)-1-[methyl(2-methylprop-2-enyl)amino]ethenyl]iminopenta-1,4-dien-2-yl]-3-[(Z)-prop-1-enyl]deca-3,5-dien-1-amine.
What is the SMILES notation for prop-1-en-2-amine;(3Z,5E)-5,9,9-trimethyl-7-methylidene-N-[(3E)-3-[(E)-2-(methylideneamino)-1-[methyl(2-methylprop-2-enyl)amino]ethenyl]iminopenta-1,4-dien-2-yl]-3-[(Z)-prop-1-enyl]deca-3,5-dien-1-amine?
The canonical SMILES for prop-1-en-2-amine;(3Z,5E)-5,9,9-trimethyl-7-methylidene-N-[(3E)-3-[(E)-2-(methylideneamino)-1-[methyl(2-methylprop-2-enyl)amino]ethenyl]iminopenta-1,4-dien-2-yl]-3-[(Z)-prop-1-enyl]deca-3,5-dien-1-amine is C=C(C)N.C=C/C(=N\C(=C\N=C)N(C)CC(=C)C)C(=C)NCCC(/C=C\C)=C/C(C)=C/C(=C)CC(C)(C)C.
What is the InChIKey of prop-1-en-2-amine;(3Z,5E)-5,9,9-trimethyl-7-methylidene-N-[(3E)-3-[(E)-2-(methylideneamino)-1-[methyl(2-methylprop-2-enyl)amino]ethenyl]iminopenta-1,4-dien-2-yl]-3-[(Z)-prop-1-enyl]deca-3,5-dien-1-amine?
The InChIKey is UZKDJWWJWXOIDD-LYGMKVPVSA-N. The full InChI is InChI=1S/C30H46N4.C3H7N/c1-13-15-27(19-24(5)18-25(6)20-30(8,9)10)16-17-32-26(7)28(14-2)33-29(21-31-11)34(12)22-23(3)4;1-3(2)4/h13-15,18-19,21,32H,2-3,6-7,11,16-17,20,22H2,1,4-5,8-10,12H3;1,4H2,2H3/b15-13-,24-18+,27-19+,29-21-,33-28+;.
What are the key properties of prop-1-en-2-amine;(3Z,5E)-5,9,9-trimethyl-7-methylidene-N-[(3E)-3-[(E)-2-(methylideneamino)-1-[methyl(2-methylprop-2-enyl)amino]ethenyl]iminopenta-1,4-dien-2-yl]-3-[(Z)-prop-1-enyl]deca-3,5-dien-1-amine?
prop-1-en-2-amine;(3Z,5E)-5,9,9-trimethyl-7-methylidene-N-[(3E)-3-[(E)-2-(methylideneamino)-1-[methyl(2-methylprop-2-enyl)amino]ethenyl]iminopenta-1,4-dien-2-yl]-3-[(Z)-prop-1-enyl]deca-3,5-dien-1-amine has a molecular weight of 519.82 g/mol, XLogP of 8.03, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-amine;(3Z,5E)-5,9,9-trimethyl-7-methylidene-N-[(3E)-3-[(E)-2-(methylideneamino)-1-[methyl(2-methylprop-2-enyl)amino]ethenyl]iminopenta-1,4-dien-2-yl]-3-[(Z)-prop-1-enyl]deca-3,5-dien-1-amine is sourced from PubChem (CID 143346546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).