(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

C34H59N5 — CID 143344958

IUPAC(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
SMILESC=C/C(C)=C(\C=C/CC(C)NC(=C)C1=N/C(=C/NC)N(CC)C(C(=C)C)=C1)C(=C)CC(C)(C)C.CCC.CN
InChIInChI=1S/C30H46N4.C3H8.CH5N/c1-13-22(5)26(23(6)19-30(9,10)11)17-15-16-24(7)32-25(8)27-18-28(21(3)4)34(14-2)29(33-27)20-31-12;1-3-2;1-2/h13,15,17-18,20,24,31-32H,1,3,6,8,14,16,19H2,2,4-5,7,9-12H3;3H2,1-2H3;2H2,1H3/b17-15-,26-22+,29-20-;;
InChIKeyUTEVJNSQKBWNAM-UJJPHLJVSA-N
MW537.88 g/mol
LogP8.17
Rot. Bonds12

About (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

(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 (PubChem CID 143344958) has the molecular formula C34H59N5 and a molecular weight of 537.88 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID143344958
Molecular FormulaC34H59N5
Molecular Weight537.88 g/mol
Exact Mass537.48
IUPAC Name(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
SMILESC=C/C(C)=C(\C=C/CC(C)NC(=C)C1=N/C(=C/NC)N(CC)C(C(=C)C)=C1)C(=C)CC(C)(C)C.CCC.CN
InChIInChI=1S/C30H46N4.C3H8.CH5N/c1-13-22(5)26(23(6)19-30(9,10)11)17-15-16-24(7)32-25(8)27-18-28(21(3)4)34(14-2)29(33-27)20-31-12;1-3-2;1-2/h13,15,17-18,20,24,31-32H,1,3,6,8,14,16,19H2,2,4-5,7,9-12H3;3H2,1-2H3;2H2,1H3/b17-15-,26-22+,29-20-;;
InChIKeyUTEVJNSQKBWNAM-UJJPHLJVSA-N
XLogP8.17
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.88
LogP ≤ 58.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Related Compounds

ethene;(6E)-2-ethenyl-7-ethyl-N-[1-(1-methyl-2-propan-2-ylidene-6-prop-1-en-2-ylpyrimidin-4-yl)ethenyl]deca-3,6-dien-1-amine
CID 143341978
(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
(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
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
(Z)-2-[4-[1-[[(6E)-6-butan-2-ylidene-9,9-dimethyl-7-methylidenedec-3-ynyl]amino]ethenyl]-2-methylidene-6-prop-1-en-2-ylpyrimidin-1-yl]but-2-enenitrile;ethane
CID 143346726
N-[[[(1Z,4E)-4-[(Z)-2-[ethenyl-[1-(1-methylcyclohexa-2,4-dien-1-yl)propyl]amino]ethenyl]-1-(methylideneamino)hexa-1,4-dien-3-ylidene]amino]methyl]cyclohexanamine
CID 173757742
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
(6E)-2-ethenyl-7-ethyl-N-[1-(1-methyl-2-propan-2-ylidene-6-prop-1-en-2-ylpyrimidin-4-yl)ethenyl]deca-3,6-dien-1-amine
CID 143341979
(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 (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C=C/C(C)=C(\C=C/CC(C)NC(=C)C1=N/C(=C/NC)N(CC)C(C(=C)C)=C1)C(=C)CC(C)(C)C.CCC.CN.
What is the InChIKey of (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?
The InChIKey is UTEVJNSQKBWNAM-UJJPHLJVSA-N. The full InChI is InChI=1S/C30H46N4.C3H8.CH5N/c1-13-22(5)26(23(6)19-30(9,10)11)17-15-16-24(7)32-25(8)27-18-28(21(3)4)34(14-2)29(33-27)20-31-12;1-3-2;1-2/h13,15,17-18,20,24,31-32H,1,3,6,8,14,16,19H2,2,4-5,7,9-12H3;3H2,1-2H3;2H2,1H3/b17-15-,26-22+,29-20-;;.
What are the key properties of (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?
(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 has a molecular weight of 537.88 g/mol, XLogP of 8.17, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 143344958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).