(3Z,5Z,6Z)-6-(cyclohexylmethyl)-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine

C22H38N2 — CID 177018977

IUPAC(3Z,5Z,6Z)-6-(cyclohexylmethyl)-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine
SMILESC/C=N/C(C)=C(C(=C\CCC)/CC1CCCCC1)\C(N)=C(/C)CC
InChIInChI=1S/C22H38N2/c1-6-9-15-20(16-19-13-11-10-12-14-19)21(18(5)24-8-3)22(23)17(4)7-2/h8,15,19H,6-7,9-14,16,23H2,1-5H3/b20-15-,21-18-,22-17-,24-8+
InChIKeyHIRIXBOGVLGFJT-AXXSRHGZSA-N
MW330.56 g/mol
LogP6.69
Rot. Bonds8

About (3Z,5Z,6Z)-6-(cyclohexylmethyl)-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine

(3Z,5Z,6Z)-6-(cyclohexylmethyl)-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine (PubChem CID 177018977) has the molecular formula C22H38N2 and a molecular weight of 330.56 g/mol. Its IUPAC name is (3Z,5Z,6Z)-6-(cyclohexylmethyl)-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine.

Molecular Properties

Compound Name(3Z,5Z,6Z)-6-(cyclohexylmethyl)-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine
PubChem CID177018977
Molecular FormulaC22H38N2
Molecular Weight330.56 g/mol
Exact Mass330.30
IUPAC Name(3Z,5Z,6Z)-6-(cyclohexylmethyl)-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine
SMILESC/C=N/C(C)=C(C(=C\CCC)/CC1CCCCC1)\C(N)=C(/C)CC
InChIInChI=1S/C22H38N2/c1-6-9-15-20(16-19-13-11-10-12-14-19)21(18(5)24-8-3)22(23)17(4)7-2/h8,15,19H,6-7,9-14,16,23H2,1-5H3/b20-15-,21-18-,22-17-,24-8+
InChIKeyHIRIXBOGVLGFJT-AXXSRHGZSA-N
XLogP6.69
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.56
LogP ≤ 56.69
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-[(2E)-7-(3,4-dihydropyridin-6-yl)-3,4-dimethyl-6-prop-1-enyldeca-2,6,9-trien-2-yl]ethanimine
CID 123899882
2-[(2Z,3Z)-3-ethyl-2-ethylidene-5-methylhexa-3,5-dienyl]-5-(ethylideneamino)-4,6-dimethylcyclohexa-2,4-dien-1-amine
CID 138646565
6-[5-[(10Z)-4-ethylcycloundeca-2,10-dien-1-yl]hexa-1,5-dien-2-yl]-5-methyl-3,4-dihydropyridine
CID 139563387
ethane;(5E)-6-[(4Z)-3-heptan-3-yl-5-methylidene-4-[(Z)-2-methylpent-2-enylidene]-1H-pyrrol-2-yl]-N-methylhexa-2,5-dien-1-imine
CID 143111725
ethane;1-(ethylideneamino)-7-methylidene-3-[(Z)-prop-1-enyl]-3a,4,5,6-tetrahydroinden-2-amine
CID 143323372
N-[(1Z)-1-[1-(4-cyclohexylbutyl)-2-methylidene-4H-pyridin-3-ylidene]propyl]ethanimine;methane
CID 143699563
ethane;4-ethyl-3-(ethylideneamino)-2-[(2Z)-penta-2,4-dien-2-yl]cyclohexa-1,3-dien-1-amine
CID 143767816
ethane;N-[(7E,11E,13Z)-11-ethyl-13-ethylidene-8-methyl-16-propylnonadeca-7,11-dien-7-yl]ethanimine
CID 143983035
(2Z,4E,6E,8Z)-6-butan-2-yl-2,4,5-trimethyl-9-N-methylidenetetradeca-2,4,6,8-tetraene-1,9-diimine
CID 155315991
(Z)-3-(3,5-dimethylcyclohepta-2,4-dien-1-yl)-3-(ethylideneamino)-2-methylprop-2-en-1-amine;ethane
CID 163248242
(Z)-3-methanimidoyl-4-[4-(4-methyl-6-propan-2-ylcyclohexa-1,3-dien-1-yl)-2,3-dihydropyridin-3-yl]but-2-en-2-amine
CID 166837775
N-[(3E,8Z)-2,6,11-trimethyl-4-(3-methylbutyl)dodeca-1,3,8,10-tetraen-3-yl]ethanimine
CID 166969757

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z,6Z)-6-(cyclohexylmethyl)-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine?
The IUPAC name of (3Z,5Z,6Z)-6-(cyclohexylmethyl)-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine (CID 177018977) is (3Z,5Z,6Z)-6-(cyclohexylmethyl)-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine.
What is the SMILES notation for (3Z,5Z,6Z)-6-(cyclohexylmethyl)-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine?
The canonical SMILES for (3Z,5Z,6Z)-6-(cyclohexylmethyl)-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine is C/C=N/C(C)=C(C(=C\CCC)/CC1CCCCC1)\C(N)=C(/C)CC.
What is the InChIKey of (3Z,5Z,6Z)-6-(cyclohexylmethyl)-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine?
The InChIKey is HIRIXBOGVLGFJT-AXXSRHGZSA-N. The full InChI is InChI=1S/C22H38N2/c1-6-9-15-20(16-19-13-11-10-12-14-19)21(18(5)24-8-3)22(23)17(4)7-2/h8,15,19H,6-7,9-14,16,23H2,1-5H3/b20-15-,21-18-,22-17-,24-8+.
What are the key properties of (3Z,5Z,6Z)-6-(cyclohexylmethyl)-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine?
(3Z,5Z,6Z)-6-(cyclohexylmethyl)-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine has a molecular weight of 330.56 g/mol, XLogP of 6.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z,6Z)-6-(cyclohexylmethyl)-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine is sourced from PubChem (CID 177018977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).