N-[(1Z)-1-[1-(4-cyclohexylbutyl)-2-methylidene-4H-pyridin-3-ylidene]propyl]ethanimine;methane

C22H38N2 — CID 143699563

IUPACN-[(1Z)-1-[1-(4-cyclohexylbutyl)-2-methylidene-4H-pyridin-3-ylidene]propyl]ethanimine;methane
SMILESC.C=C1/C(=C(CC)\N=C\C)CC=CN1CCCCC1CCCCC1
InChIInChI=1S/C21H34N2.CH4/c1-4-21(22-5-2)20-15-11-17-23(18(20)3)16-10-9-14-19-12-7-6-8-13-19;/h5,11,17,19H,3-4,6-10,12-16H2,1-2H3;1H4/b21-20-,22-5+;
InChIKeySOXXNQZEKNYQLQ-SBDKBVRCSA-N
MW330.56 g/mol
LogP6.86
Rot. Bonds7

About N-[(1Z)-1-[1-(4-cyclohexylbutyl)-2-methylidene-4H-pyridin-3-ylidene]propyl]ethanimine;methane

N-[(1Z)-1-[1-(4-cyclohexylbutyl)-2-methylidene-4H-pyridin-3-ylidene]propyl]ethanimine;methane (PubChem CID 143699563) has the molecular formula C22H38N2 and a molecular weight of 330.56 g/mol. Its IUPAC name is N-[(1Z)-1-[1-(4-cyclohexylbutyl)-2-methylidene-4H-pyridin-3-ylidene]propyl]ethanimine;methane.

Molecular Properties

Compound NameN-[(1Z)-1-[1-(4-cyclohexylbutyl)-2-methylidene-4H-pyridin-3-ylidene]propyl]ethanimine;methane
PubChem CID143699563
Molecular FormulaC22H38N2
Molecular Weight330.56 g/mol
Exact Mass330.30
IUPAC NameN-[(1Z)-1-[1-(4-cyclohexylbutyl)-2-methylidene-4H-pyridin-3-ylidene]propyl]ethanimine;methane
SMILESC.C=C1/C(=C(CC)\N=C\C)CC=CN1CCCCC1CCCCC1
InChIInChI=1S/C21H34N2.CH4/c1-4-21(22-5-2)20-15-11-17-23(18(20)3)16-10-9-14-19-12-7-6-8-13-19;/h5,11,17,19H,3-4,6-10,12-16H2,1-2H3;1H4/b21-20-,22-5+;
InChIKeySOXXNQZEKNYQLQ-SBDKBVRCSA-N
XLogP6.86
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.56
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3,4,4a,5,6,8,8a,9,10-decahydro-1H-isoquinolino[2,1-g][1,6]naphthyridine;hydrochloride
CID 67870324
2,3,4,4a,5,6,8,8a,9,10-decahydro-1H-isoquinolino[2,1-g][1,6]naphthyridine
CID 67870325
N-[(Z)-[(3R,4bR)-9-hept-6-enyl-2,3,4b,5,6,8a-hexahydrocarbazol-3-yl]-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimine
CID 90269809
N-[(Z)-2-[1-[(Z)-1-cyclohexylprop-1-enyl]-3-methyl-6-methylidenepyrazin-2-yl]ethenyl]methanimine
CID 121400281
1-Methylidene-2-(2-methylidenecyclohexyl)pyridin-1-ium-2-ide
CID 123151823
N-[1-(3H-azepin-6-yl)ethyl]-N,4-dimethylcyclohexan-1-amine
CID 123309080
4-[3-(2-methylcyclohex-3-en-1-yl)-1-(6-methylcyclohex-2-en-1-yl)buta-1,3-dienyl]-1-propyl-3,5-dihydro-2H-pyrazin-1-ium
CID 123541845
5-[6-[[4-(3H-azepin-5-yl)piperazin-1-yl]methyl]-4,5-dihydropyridazin-4-yl]-N-methyl-N-prop-1-enylpent-1-en-2-amine
CID 123747328
Ethyl-[3-ethyl-2-methyl-4-[[1-(4-methyl-3,6-dipropyldodeca-1,4-dienyl)-5-methylidene-2-pentan-3-yl-4-pentan-2-ylidenepyrrol-3-yl]methyl]hept-3-enyl]-methylideneazanium
CID 123992854
4-[(1Z,3Z)-1-[[(Z)-but-2-enylidene]amino]penta-1,3-dien-2-yl]-N-[(E)-hex-3-en-3-yl]-N-[(E)-pent-1-enyl]cyclohexa-1,5-dien-1-amine
CID 124112768
N-[(Z,3E)-3-[(ethylideneamino)methylidene]hex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine
CID 130459822
N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N,4-dimethylcyclohexan-1-amine
CID 130459844

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-1-[1-(4-cyclohexylbutyl)-2-methylidene-4H-pyridin-3-ylidene]propyl]ethanimine;methane?
The IUPAC name of N-[(1Z)-1-[1-(4-cyclohexylbutyl)-2-methylidene-4H-pyridin-3-ylidene]propyl]ethanimine;methane (CID 143699563) is N-[(1Z)-1-[1-(4-cyclohexylbutyl)-2-methylidene-4H-pyridin-3-ylidene]propyl]ethanimine;methane.
What is the SMILES notation for N-[(1Z)-1-[1-(4-cyclohexylbutyl)-2-methylidene-4H-pyridin-3-ylidene]propyl]ethanimine;methane?
The canonical SMILES for N-[(1Z)-1-[1-(4-cyclohexylbutyl)-2-methylidene-4H-pyridin-3-ylidene]propyl]ethanimine;methane is C.C=C1/C(=C(CC)\N=C\C)CC=CN1CCCCC1CCCCC1.
What is the InChIKey of N-[(1Z)-1-[1-(4-cyclohexylbutyl)-2-methylidene-4H-pyridin-3-ylidene]propyl]ethanimine;methane?
The InChIKey is SOXXNQZEKNYQLQ-SBDKBVRCSA-N. The full InChI is InChI=1S/C21H34N2.CH4/c1-4-21(22-5-2)20-15-11-17-23(18(20)3)16-10-9-14-19-12-7-6-8-13-19;/h5,11,17,19H,3-4,6-10,12-16H2,1-2H3;1H4/b21-20-,22-5+;.
What are the key properties of N-[(1Z)-1-[1-(4-cyclohexylbutyl)-2-methylidene-4H-pyridin-3-ylidene]propyl]ethanimine;methane?
N-[(1Z)-1-[1-(4-cyclohexylbutyl)-2-methylidene-4H-pyridin-3-ylidene]propyl]ethanimine;methane has a molecular weight of 330.56 g/mol, XLogP of 6.86, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-1-[1-(4-cyclohexylbutyl)-2-methylidene-4H-pyridin-3-ylidene]propyl]ethanimine;methane is sourced from PubChem (CID 143699563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).