(Z)-7-cyclohexyl-3,3,5-trimethyl-7-methyliminohept-5-en-1-amine;(3Z)-2-methylpenta-1,3-diene

C23H42N2 — CID 145299304

IUPAC(Z)-7-cyclohexyl-3,3,5-trimethyl-7-methyliminohept-5-en-1-amine;(3Z)-2-methylpenta-1,3-diene
SMILESC/N=C(\C=C(\C)CC(C)(C)CCN)C1CCCCC1.C=C(C)/C=C\C
InChIInChI=1S/C17H32N2.C6H10/c1-14(13-17(2,3)10-11-18)12-16(19-4)15-8-6-5-7-9-15;1-4-5-6(2)3/h12,15H,5-11,13,18H2,1-4H3;4-5H,2H2,1,3H3/b14-12-,19-16+;5-4-
InChIKeyAWEISLYCKSYXBL-BJXWFMOFSA-N
MW346.60 g/mol
LogP6.49
Rot. Bonds7

About (Z)-7-cyclohexyl-3,3,5-trimethyl-7-methyliminohept-5-en-1-amine;(3Z)-2-methylpenta-1,3-diene

(Z)-7-cyclohexyl-3,3,5-trimethyl-7-methyliminohept-5-en-1-amine;(3Z)-2-methylpenta-1,3-diene (PubChem CID 145299304) has the molecular formula C23H42N2 and a molecular weight of 346.60 g/mol. Its IUPAC name is (Z)-7-cyclohexyl-3,3,5-trimethyl-7-methyliminohept-5-en-1-amine;(3Z)-2-methylpenta-1,3-diene.

Molecular Properties

Compound Name(Z)-7-cyclohexyl-3,3,5-trimethyl-7-methyliminohept-5-en-1-amine;(3Z)-2-methylpenta-1,3-diene
PubChem CID145299304
Molecular FormulaC23H42N2
Molecular Weight346.60 g/mol
Exact Mass346.33
IUPAC Name(Z)-7-cyclohexyl-3,3,5-trimethyl-7-methyliminohept-5-en-1-amine;(3Z)-2-methylpenta-1,3-diene
SMILESC/N=C(\C=C(\C)CC(C)(C)CCN)C1CCCCC1.C=C(C)/C=C\C
InChIInChI=1S/C17H32N2.C6H10/c1-14(13-17(2,3)10-11-18)12-16(19-4)15-8-6-5-7-9-15;1-4-5-6(2)3/h12,15H,5-11,13,18H2,1-4H3;4-5H,2H2,1,3H3/b14-12-,19-16+;5-4-
InChIKeyAWEISLYCKSYXBL-BJXWFMOFSA-N
XLogP6.49
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.60
LogP ≤ 56.49
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'}

Analyze (Z)-7-cyclohexyl-3,3,5-trimethyl-7-methyliminohept-5-en-1-amine;(3Z)-2-methylpenta-1,3-diene with MolForge

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Launch Full Analysis

Related Compounds

1-cyclohexa-2,4-dien-1-yl-4-(3,3-dimethyl-2-methylidenepentyl)imino-3-fluoro-N-methylpentan-1-amine
CID 154993301
6-(6-Butyliminocyclohexen-1-yl)-2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-amine
CID 67174652
(9E)-4-cyclohexa-1,3-dien-1-yl-9-cyclohexa-1,5-dien-1-yl-2-methyl-11-methylimino-8-[(Z)-prop-1-enyl]dodeca-1,9-dien-6-amine
CID 88992140
4-[N-(5,5-diethylheptan-2-yl)-C-methylcarbonimidoyl]cyclohexa-1,5-dien-1-amine
CID 89074096
2-[2-[1-(3,4-Dihydrobenzo[7]annulen-1-yl)prop-1-enylimino]-3-methylbut-3-enyl]cyclohexan-1-amine
CID 91188452
3-[5-cyclohepta-1,3,6-trien-1-yl-2-(3-methyl-3,3a,6,7-tetrahydro-2H-indol-6-yl)cyclohepta-1,3,5-trien-1-yl]propan-1-amine
CID 123933874
2-[N-[[6-(aminomethyl)cyclohexa-2,4-dien-1-yl]methyl]-C-prop-1-en-2-ylcarbonimidoyl]-4,4-dimethylcyclohexen-1-amine
CID 130240375
(1S)-6-imino-5-[(5E)-9-methyldeca-1,5,9-trien-2-yl]-3-(2-methylpropyl)cyclohexa-2,4-dien-1-amine
CID 132124209
(1E,5Z,7Z)-1-(5,5-dimethyl-2-methyliminocyclohexylidene)-3-(2,4-dimethylpent-2-en-3-yl)-2,4-dimethylidenenona-5,7-dien-1-amine
CID 137483466
5-(6-Tert-butyl-2,3-dihydropyridin-3-yl)pentan-1-amine
CID 139498145
N-[[3,4-bis(methylimino)cyclohexa-1,5-dien-1-yl]methyl]-4-ethylcyclohexan-1-amine;ethane
CID 142230331
[2-[N-ethyl-C-[(4Z,6Z)-3-methylocta-4,6-dienyl]carbonimidoyl]cyclohexen-1-yl]methanamine
CID 143606113

Frequently Asked Questions

What is the IUPAC name of (Z)-7-cyclohexyl-3,3,5-trimethyl-7-methyliminohept-5-en-1-amine;(3Z)-2-methylpenta-1,3-diene?
The IUPAC name of (Z)-7-cyclohexyl-3,3,5-trimethyl-7-methyliminohept-5-en-1-amine;(3Z)-2-methylpenta-1,3-diene (CID 145299304) is (Z)-7-cyclohexyl-3,3,5-trimethyl-7-methyliminohept-5-en-1-amine;(3Z)-2-methylpenta-1,3-diene.
What is the SMILES notation for (Z)-7-cyclohexyl-3,3,5-trimethyl-7-methyliminohept-5-en-1-amine;(3Z)-2-methylpenta-1,3-diene?
The canonical SMILES for (Z)-7-cyclohexyl-3,3,5-trimethyl-7-methyliminohept-5-en-1-amine;(3Z)-2-methylpenta-1,3-diene is C/N=C(\C=C(\C)CC(C)(C)CCN)C1CCCCC1.C=C(C)/C=C\C.
What is the InChIKey of (Z)-7-cyclohexyl-3,3,5-trimethyl-7-methyliminohept-5-en-1-amine;(3Z)-2-methylpenta-1,3-diene?
The InChIKey is AWEISLYCKSYXBL-BJXWFMOFSA-N. The full InChI is InChI=1S/C17H32N2.C6H10/c1-14(13-17(2,3)10-11-18)12-16(19-4)15-8-6-5-7-9-15;1-4-5-6(2)3/h12,15H,5-11,13,18H2,1-4H3;4-5H,2H2,1,3H3/b14-12-,19-16+;5-4-.
What are the key properties of (Z)-7-cyclohexyl-3,3,5-trimethyl-7-methyliminohept-5-en-1-amine;(3Z)-2-methylpenta-1,3-diene?
(Z)-7-cyclohexyl-3,3,5-trimethyl-7-methyliminohept-5-en-1-amine;(3Z)-2-methylpenta-1,3-diene has a molecular weight of 346.60 g/mol, XLogP of 6.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-cyclohexyl-3,3,5-trimethyl-7-methyliminohept-5-en-1-amine;(3Z)-2-methylpenta-1,3-diene is sourced from PubChem (CID 145299304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).