1-N-cyclopropyl-1-N'-[(2Z,4E,5Z)-4-ethylidene-8-methylnona-2,5,7-trien-3-yl]-1-N'-methylethane-1,1-diamine

C18H30N2 — CID 139378390

IUPAC1-N-cyclopropyl-1-N'-[(2Z,4E,5Z)-4-ethylidene-8-methylnona-2,5,7-trien-3-yl]-1-N'-methylethane-1,1-diamine
SMILESC/C=C(C(/C=C\C=C(C)C)=C/C)\N(C)C(C)NC1CC1
InChIInChI=1S/C18H30N2/c1-7-16(11-9-10-14(3)4)18(8-2)20(6)15(5)19-17-12-13-17/h7-11,15,17,19H,12-13H2,1-6H3/b11-9-,16-7+,18-8-
InChIKeyXWZREXNRDAPHFX-ZRVJFOBFSA-N
MW274.45 g/mol
LogP4.39
Rot. Bonds7

About 1-N-cyclopropyl-1-N'-[(2Z,4E,5Z)-4-ethylidene-8-methylnona-2,5,7-trien-3-yl]-1-N'-methylethane-1,1-diamine

1-N-cyclopropyl-1-N'-[(2Z,4E,5Z)-4-ethylidene-8-methylnona-2,5,7-trien-3-yl]-1-N'-methylethane-1,1-diamine (PubChem CID 139378390) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-N-cyclopropyl-1-N'-[(2Z,4E,5Z)-4-ethylidene-8-methylnona-2,5,7-trien-3-yl]-1-N'-methylethane-1,1-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-1-N'-[(2Z,4E,5Z)-4-ethylidene-8-methylnona-2,5,7-trien-3-yl]-1-N'-methylethane-1,1-diamine
PubChem CID139378390
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-N-cyclopropyl-1-N'-[(2Z,4E,5Z)-4-ethylidene-8-methylnona-2,5,7-trien-3-yl]-1-N'-methylethane-1,1-diamine
SMILESC/C=C(C(/C=C\C=C(C)C)=C/C)\N(C)C(C)NC1CC1
InChIInChI=1S/C18H30N2/c1-7-16(11-9-10-14(3)4)18(8-2)20(6)15(5)19-17-12-13-17/h7-11,15,17,19H,12-13H2,1-6H3/b11-9-,16-7+,18-8-
InChIKeyXWZREXNRDAPHFX-ZRVJFOBFSA-N
XLogP4.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1-N-cyclopropyl-1-N'-[(2Z,4E,5Z)-4-ethylidene-8-methylnona-2,5,7-trien-3-yl]-1-N'-methylethane-1,1-diamine with MolForge

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Related Compounds

6-(3-ethenyl-5-fluorocyclohepta-1,4,6-trien-1-yl)-N,1,5-trimethyl-2H-pyridin-2-amine
CID 130349826
(1R,2E)-1-N'-[(Z)-but-2-en-2-yl]-1-N'-ethyl-2-[(Z)-pent-2-enylidene]propane-1,1,3-triamine
CID 88976883
N-butan-2-yl-N'-[(3E)-2-methylpenta-1,3-dien-3-yl]methanediamine
CID 89297356
2-Cyclopropyl-3,8-dimethyl-1,8a-dihydroimidazo[1,2-a]pyridine
CID 89404589
(3E)-3-[dimethylamino(methylamino)methylidene]-4-N-methylcyclohexa-1,5-diene-1,4-diamine
CID 89666708
1,3-Diethyl-2-methylidene-4,4a-dihydroimidazo[4,5-b]quinoline
CID 117633929
1-N'-[(3E)-3-ethenylhexa-1,3-dien-2-yl]-1-N-[(3Z)-2-methylidenehexa-3,5-dienyl]ethane-1,1-diamine
CID 118181312
(2Z,5Z)-1-N'-ethyl-1-N'-[(3Z)-hexa-1,3,5-trien-3-yl]-4-methylidenehepta-2,5-diene-1,1-diamine
CID 124112798
4,6-dimethyl-N-propan-2-yl-1,2-dihydropyridin-2-amine
CID 124171441
(E)-1-N,2-N-dimethyl-1-N'-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]but-2-ene-1,1,2-triamine
CID 129059995
5-Ethyl-1,6-dimethyl-7,7a-dihydropyrrolo[2,3-b]pyridine
CID 130220546
1-N'-[(3Z,5Z)-4-ethenylhepta-1,3,5-trien-2-yl]-1-N-propan-2-ylethene-1,1-diamine
CID 130461522

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-1-N'-[(2Z,4E,5Z)-4-ethylidene-8-methylnona-2,5,7-trien-3-yl]-1-N'-methylethane-1,1-diamine?
The IUPAC name of 1-N-cyclopropyl-1-N'-[(2Z,4E,5Z)-4-ethylidene-8-methylnona-2,5,7-trien-3-yl]-1-N'-methylethane-1,1-diamine (CID 139378390) is 1-N-cyclopropyl-1-N'-[(2Z,4E,5Z)-4-ethylidene-8-methylnona-2,5,7-trien-3-yl]-1-N'-methylethane-1,1-diamine.
What is the SMILES notation for 1-N-cyclopropyl-1-N'-[(2Z,4E,5Z)-4-ethylidene-8-methylnona-2,5,7-trien-3-yl]-1-N'-methylethane-1,1-diamine?
The canonical SMILES for 1-N-cyclopropyl-1-N'-[(2Z,4E,5Z)-4-ethylidene-8-methylnona-2,5,7-trien-3-yl]-1-N'-methylethane-1,1-diamine is C/C=C(C(/C=C\C=C(C)C)=C/C)\N(C)C(C)NC1CC1.
What is the InChIKey of 1-N-cyclopropyl-1-N'-[(2Z,4E,5Z)-4-ethylidene-8-methylnona-2,5,7-trien-3-yl]-1-N'-methylethane-1,1-diamine?
The InChIKey is XWZREXNRDAPHFX-ZRVJFOBFSA-N. The full InChI is InChI=1S/C18H30N2/c1-7-16(11-9-10-14(3)4)18(8-2)20(6)15(5)19-17-12-13-17/h7-11,15,17,19H,12-13H2,1-6H3/b11-9-,16-7+,18-8-.
What are the key properties of 1-N-cyclopropyl-1-N'-[(2Z,4E,5Z)-4-ethylidene-8-methylnona-2,5,7-trien-3-yl]-1-N'-methylethane-1,1-diamine?
1-N-cyclopropyl-1-N'-[(2Z,4E,5Z)-4-ethylidene-8-methylnona-2,5,7-trien-3-yl]-1-N'-methylethane-1,1-diamine has a molecular weight of 274.45 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-1-N'-[(2Z,4E,5Z)-4-ethylidene-8-methylnona-2,5,7-trien-3-yl]-1-N'-methylethane-1,1-diamine is sourced from PubChem (CID 139378390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).