(3Z,5Z)-3-(1-cyclopropylpropan-2-ylidene)-N-ethenylhepta-1,5-dien-4-imine;ethane;N-methylheptan-4-amine

C29H58N2 — CID 145242404

IUPAC(3Z,5Z)-3-(1-cyclopropylpropan-2-ylidene)-N-ethenylhepta-1,5-dien-4-imine;ethane;N-methylheptan-4-amine
SMILESC=C/N=C(\C=C/C)C(/C=C)=C(/C)CC1CC1.CC.CC.CC.CCCC(CCC)NC
InChIInChI=1S/C15H21N.C8H19N.3C2H6/c1-5-8-15(16-7-3)14(6-2)12(4)11-13-9-10-13;1-4-6-8(9-3)7-5-2;3*1-2/h5-8,13H,2-3,9-11H2,1,4H3;8-9H,4-7H2,1-3H3;3*1-2H3/b8-5-,14-12-,16-15+;;;;
InChIKeyFPUBTUIUQNMBMB-RTLZVOSWSA-N
MW434.80 g/mol
LogP9.70
Rot. Bonds11

About (3Z,5Z)-3-(1-cyclopropylpropan-2-ylidene)-N-ethenylhepta-1,5-dien-4-imine;ethane;N-methylheptan-4-amine

(3Z,5Z)-3-(1-cyclopropylpropan-2-ylidene)-N-ethenylhepta-1,5-dien-4-imine;ethane;N-methylheptan-4-amine (PubChem CID 145242404) has the molecular formula C29H58N2 and a molecular weight of 434.80 g/mol. Its IUPAC name is (3Z,5Z)-3-(1-cyclopropylpropan-2-ylidene)-N-ethenylhepta-1,5-dien-4-imine;ethane;N-methylheptan-4-amine.

Molecular Properties

Compound Name(3Z,5Z)-3-(1-cyclopropylpropan-2-ylidene)-N-ethenylhepta-1,5-dien-4-imine;ethane;N-methylheptan-4-amine
PubChem CID145242404
Molecular FormulaC29H58N2
Molecular Weight434.80 g/mol
Exact Mass434.46
IUPAC Name(3Z,5Z)-3-(1-cyclopropylpropan-2-ylidene)-N-ethenylhepta-1,5-dien-4-imine;ethane;N-methylheptan-4-amine
SMILESC=C/N=C(\C=C/C)C(/C=C)=C(/C)CC1CC1.CC.CC.CC.CCCC(CCC)NC
InChIInChI=1S/C15H21N.C8H19N.3C2H6/c1-5-8-15(16-7-3)14(6-2)12(4)11-13-9-10-13;1-4-6-8(9-3)7-5-2;3*1-2/h5-8,13H,2-3,9-11H2,1,4H3;8-9H,4-7H2,1-3H3;3*1-2H3/b8-5-,14-12-,16-15+;;;;
InChIKeyFPUBTUIUQNMBMB-RTLZVOSWSA-N
XLogP9.70
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.80
LogP ≤ 59.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-2-(7-methyl-7H-indol-3-yl)ethanamine
CID 67232441
(2R)-3-[(Z)-2-aminoprop-1-enyl]imino-N-[1-[2-[(2E,4Z,7Z)-6-methylidenenona-2,4,7-trien-2-yl]cyclopropyl]ethenyl]pent-4-en-2-amine
CID 88998058
1-(3,4-dimethyl-2,3-dihydro-1H-azepin-2-yl)ethanimine
CID 132004014
(3E)-2-(1-cyclopropylethenyl)-3-[[[(2Z)-4-methyl-2-(methyliminomethyl)penta-2,4-dienyl]amino]methylidene]-4H-pyridin-4-amine
CID 132195351
(3Z,5E)-2-N-[(3Z)-3-butan-2-ylidene-4-methyliminocyclohexa-1,5-dien-1-yl]-6-N-(2,5-dimethylheptan-3-yl)-3-ethenyl-5-methylhepta-1,3,5-triene-2,6-diamine
CID 134187705
ethane;ethene;(5Z)-2-ethenyl-3-ethyl-N-methyl-5-[(Z)-5-methyl-4-methylidenehex-2-enylidene]cyclohex-2-en-1-imine;heptane;N-methylbutan-1-amine;propane
CID 142047009
(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
(Z)-but-2-ene;4-ethylheptane;(Z,4E)-3-methanimidoyl-N-methyl-4-[(3-methylbut-3-en-2-ylideneamino)methylidene]hex-2-en-1-amine
CID 143756107
N-[1-[4-(N-cyclopropyl-C-methylcarbonimidoyl)cyclohexa-2,4-dien-1-yl]ethenyl]-2,3-dimethyloct-7-en-1-amine
CID 156120416
(9Z)-N-methyl-8-methylidene-5-[(3Z)-penta-1,3-dien-2-yl]-4-(propan-2-ylideneamino)undeca-1,9-dien-2-amine
CID 166965996
(9Z)-5-buta-1,3-dien-2-yl-N-methyl-4-(3-methylbutan-2-ylideneamino)-8-methylideneundeca-1,9-dien-2-amine
CID 166966004
(9Z)-5-buta-1,3-dien-2-yl-4-(butan-2-ylideneamino)-N-methyl-8-methylideneundeca-1,9-dien-2-amine
CID 167310537

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-3-(1-cyclopropylpropan-2-ylidene)-N-ethenylhepta-1,5-dien-4-imine;ethane;N-methylheptan-4-amine?
The IUPAC name of (3Z,5Z)-3-(1-cyclopropylpropan-2-ylidene)-N-ethenylhepta-1,5-dien-4-imine;ethane;N-methylheptan-4-amine (CID 145242404) is (3Z,5Z)-3-(1-cyclopropylpropan-2-ylidene)-N-ethenylhepta-1,5-dien-4-imine;ethane;N-methylheptan-4-amine.
What is the SMILES notation for (3Z,5Z)-3-(1-cyclopropylpropan-2-ylidene)-N-ethenylhepta-1,5-dien-4-imine;ethane;N-methylheptan-4-amine?
The canonical SMILES for (3Z,5Z)-3-(1-cyclopropylpropan-2-ylidene)-N-ethenylhepta-1,5-dien-4-imine;ethane;N-methylheptan-4-amine is C=C/N=C(\C=C/C)C(/C=C)=C(/C)CC1CC1.CC.CC.CC.CCCC(CCC)NC.
What is the InChIKey of (3Z,5Z)-3-(1-cyclopropylpropan-2-ylidene)-N-ethenylhepta-1,5-dien-4-imine;ethane;N-methylheptan-4-amine?
The InChIKey is FPUBTUIUQNMBMB-RTLZVOSWSA-N. The full InChI is InChI=1S/C15H21N.C8H19N.3C2H6/c1-5-8-15(16-7-3)14(6-2)12(4)11-13-9-10-13;1-4-6-8(9-3)7-5-2;3*1-2/h5-8,13H,2-3,9-11H2,1,4H3;8-9H,4-7H2,1-3H3;3*1-2H3/b8-5-,14-12-,16-15+;;;;.
What are the key properties of (3Z,5Z)-3-(1-cyclopropylpropan-2-ylidene)-N-ethenylhepta-1,5-dien-4-imine;ethane;N-methylheptan-4-amine?
(3Z,5Z)-3-(1-cyclopropylpropan-2-ylidene)-N-ethenylhepta-1,5-dien-4-imine;ethane;N-methylheptan-4-amine has a molecular weight of 434.80 g/mol, XLogP of 9.70, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-3-(1-cyclopropylpropan-2-ylidene)-N-ethenylhepta-1,5-dien-4-imine;ethane;N-methylheptan-4-amine is sourced from PubChem (CID 145242404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).