N,4-dimethyl-4-[(1E,3Z)-5-methyliminopenta-1,3-dienyl]-N-(4-methylpent-1-en-3-yl)cyclohexan-1-amine

C20H34N2 — CID 177219612

IUPACN,4-dimethyl-4-[(1E,3Z)-5-methyliminopenta-1,3-dienyl]-N-(4-methylpent-1-en-3-yl)cyclohexan-1-amine
SMILESC=CC(C(C)C)N(C)C1CCC(C)(/C=C/C=C\C=N\C)CC1
InChIInChI=1S/C20H34N2/c1-7-19(17(2)3)22(6)18-11-14-20(4,15-12-18)13-9-8-10-16-21-5/h7-10,13,16-19H,1,11-12,14-15H2,2-6H3/b10-8-,13-9+,21-16+
InChIKeyCREHCESSZIJSFK-UEVWMIKCSA-N
MW302.51 g/mol
LogP4.89
Rot. Bonds7

About N,4-dimethyl-4-[(1E,3Z)-5-methyliminopenta-1,3-dienyl]-N-(4-methylpent-1-en-3-yl)cyclohexan-1-amine

N,4-dimethyl-4-[(1E,3Z)-5-methyliminopenta-1,3-dienyl]-N-(4-methylpent-1-en-3-yl)cyclohexan-1-amine (PubChem CID 177219612) has the molecular formula C20H34N2 and a molecular weight of 302.51 g/mol. Its IUPAC name is N,4-dimethyl-4-[(1E,3Z)-5-methyliminopenta-1,3-dienyl]-N-(4-methylpent-1-en-3-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-4-[(1E,3Z)-5-methyliminopenta-1,3-dienyl]-N-(4-methylpent-1-en-3-yl)cyclohexan-1-amine
PubChem CID177219612
Molecular FormulaC20H34N2
Molecular Weight302.51 g/mol
Exact Mass302.27
IUPAC NameN,4-dimethyl-4-[(1E,3Z)-5-methyliminopenta-1,3-dienyl]-N-(4-methylpent-1-en-3-yl)cyclohexan-1-amine
SMILESC=CC(C(C)C)N(C)C1CCC(C)(/C=C/C=C\C=N\C)CC1
InChIInChI=1S/C20H34N2/c1-7-19(17(2)3)22(6)18-11-14-20(4,15-12-18)13-9-8-10-16-21-5/h7-10,13,16-19H,1,11-12,14-15H2,2-6H3/b10-8-,13-9+,21-16+
InChIKeyCREHCESSZIJSFK-UEVWMIKCSA-N
XLogP4.89
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.51
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3,3-Dipentylcyclohexyl)-1-azoniacyclododeca-4,8,12-triene
CID 57077910
2-[(1E,3E,5E,7E)-2,6-dimethyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-1,3,5,7-tetraenyl]-4-[(1E,3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hexa-1,3,5-trienyl]-1-propyl-2,3-dihydropyridin-1-ium
CID 59381631
3,3-dioctadecyl-1-propan-2-yl-2H-pyridin-1-ium
CID 69577796
N-[1-(3H-azepin-6-yl)ethyl]-N,4-dimethylcyclohexan-1-amine
CID 123309080
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
ethane;4-ethyl-N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N-methylcyclohexan-1-amine
CID 144654677
ethane;N-[(Z,3E)-3-[(ethylideneamino)methylidene]hex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine
CID 144654692
ethane;N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N,4-dimethylcyclohexan-1-amine
CID 144654727
ethane;N-[(Z,3E)-3-[(ethylideneamino)methylidene]hex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine
CID 144654848
ethane;4-ethyl-N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N-methylcyclohexan-1-amine
CID 144654864
N-[1-(3H-azepin-6-yl)ethyl]-N,4-dimethylcyclohexan-1-amine;ethane
CID 144734935

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-4-[(1E,3Z)-5-methyliminopenta-1,3-dienyl]-N-(4-methylpent-1-en-3-yl)cyclohexan-1-amine?
The IUPAC name of N,4-dimethyl-4-[(1E,3Z)-5-methyliminopenta-1,3-dienyl]-N-(4-methylpent-1-en-3-yl)cyclohexan-1-amine (CID 177219612) is N,4-dimethyl-4-[(1E,3Z)-5-methyliminopenta-1,3-dienyl]-N-(4-methylpent-1-en-3-yl)cyclohexan-1-amine.
What is the SMILES notation for N,4-dimethyl-4-[(1E,3Z)-5-methyliminopenta-1,3-dienyl]-N-(4-methylpent-1-en-3-yl)cyclohexan-1-amine?
The canonical SMILES for N,4-dimethyl-4-[(1E,3Z)-5-methyliminopenta-1,3-dienyl]-N-(4-methylpent-1-en-3-yl)cyclohexan-1-amine is C=CC(C(C)C)N(C)C1CCC(C)(/C=C/C=C\C=N\C)CC1.
What is the InChIKey of N,4-dimethyl-4-[(1E,3Z)-5-methyliminopenta-1,3-dienyl]-N-(4-methylpent-1-en-3-yl)cyclohexan-1-amine?
The InChIKey is CREHCESSZIJSFK-UEVWMIKCSA-N. The full InChI is InChI=1S/C20H34N2/c1-7-19(17(2)3)22(6)18-11-14-20(4,15-12-18)13-9-8-10-16-21-5/h7-10,13,16-19H,1,11-12,14-15H2,2-6H3/b10-8-,13-9+,21-16+.
What are the key properties of N,4-dimethyl-4-[(1E,3Z)-5-methyliminopenta-1,3-dienyl]-N-(4-methylpent-1-en-3-yl)cyclohexan-1-amine?
N,4-dimethyl-4-[(1E,3Z)-5-methyliminopenta-1,3-dienyl]-N-(4-methylpent-1-en-3-yl)cyclohexan-1-amine has a molecular weight of 302.51 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-4-[(1E,3Z)-5-methyliminopenta-1,3-dienyl]-N-(4-methylpent-1-en-3-yl)cyclohexan-1-amine is sourced from PubChem (CID 177219612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).