2-methyl-N-[3-(2-methylcyclohexen-1-yl)iminobutan-2-yl]cyclohexan-1-amine

C18H32N2 — CID 91402890

IUPAC2-methyl-N-[3-(2-methylcyclohexen-1-yl)iminobutan-2-yl]cyclohexan-1-amine
SMILESCC1=C(/N=C(\C)C(C)NC2CCCCC2C)CCCC1
InChIInChI=1S/C18H32N2/c1-13-9-5-7-11-17(13)19-15(3)16(4)20-18-12-8-6-10-14(18)2/h13,15,17,19H,5-12H2,1-4H3/b20-16+
InChIKeyLLZJQFJTPVIMEF-CAPFRKAQSA-N
MW276.47 g/mol
LogP4.85
Rot. Bonds4

About 2-methyl-N-[3-(2-methylcyclohexen-1-yl)iminobutan-2-yl]cyclohexan-1-amine

2-methyl-N-[3-(2-methylcyclohexen-1-yl)iminobutan-2-yl]cyclohexan-1-amine (PubChem CID 91402890) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 2-methyl-N-[3-(2-methylcyclohexen-1-yl)iminobutan-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(2-methylcyclohexen-1-yl)iminobutan-2-yl]cyclohexan-1-amine
PubChem CID91402890
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name2-methyl-N-[3-(2-methylcyclohexen-1-yl)iminobutan-2-yl]cyclohexan-1-amine
SMILESCC1=C(/N=C(\C)C(C)NC2CCCCC2C)CCCC1
InChIInChI=1S/C18H32N2/c1-13-9-5-7-11-17(13)19-15(3)16(4)20-18-12-8-6-10-14(18)2/h13,15,17,19H,5-12H2,1-4H3/b20-16+
InChIKeyLLZJQFJTPVIMEF-CAPFRKAQSA-N
XLogP4.85
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4,5-dimethyl-3H-pyrrol-2-yl)piperidine
CID 58578279
N-[2-(2,6-dimethylcyclohexen-1-yl)iminoethyl]-2,6-dimethylcyclohexan-1-amine
CID 90721381
N-[3-(2,6-dimethylcyclohexen-1-yl)iminobutan-2-yl]-2,6-dimethylcyclohexan-1-amine
CID 91365576
N-[3-[2,6-di(propan-2-yl)cyclohexen-1-yl]iminobutan-2-yl]-2,6-di(propan-2-yl)cyclohexan-1-amine
CID 91573348
2,3,8-Trimethyl-1,2,5,6,7,8-hexahydroquinoxaline
CID 118890960
N-methyl-1-[2-methyl-3-(propan-2-ylideneamino)cyclohex-2-en-1-yl]methanamine
CID 132196155
(Z)-3-ethanimidoyl-1-N-(2,4,4-trimethylcyclohexyl)pent-3-ene-1,4-diamine
CID 134466051
N-[1-(3,4-dimethyl-2H-pyrrol-5-yl)ethenyl]-2-methylcyclohexan-1-amine
CID 138509837
ethane;N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]cyclohexanamine
CID 143656319
6-imino-N-methyl-2-[(5-propyl-3,4-dihydropyridin-6-yl)methyl]hexan-1-amine
CID 156551954
1-(4,5-dipropyl-2,3-dihydro-1H-pyrrol-3-yl)ethanimine
CID 164021084
2,8a-dimethyl-3-[(2R)-octan-2-yl]-5,6,7,8-tetrahydro-1H-quinoxalin-6-amine
CID 173746549

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(2-methylcyclohexen-1-yl)iminobutan-2-yl]cyclohexan-1-amine?
The IUPAC name of 2-methyl-N-[3-(2-methylcyclohexen-1-yl)iminobutan-2-yl]cyclohexan-1-amine (CID 91402890) is 2-methyl-N-[3-(2-methylcyclohexen-1-yl)iminobutan-2-yl]cyclohexan-1-amine.
What is the SMILES notation for 2-methyl-N-[3-(2-methylcyclohexen-1-yl)iminobutan-2-yl]cyclohexan-1-amine?
The canonical SMILES for 2-methyl-N-[3-(2-methylcyclohexen-1-yl)iminobutan-2-yl]cyclohexan-1-amine is CC1=C(/N=C(\C)C(C)NC2CCCCC2C)CCCC1.
What is the InChIKey of 2-methyl-N-[3-(2-methylcyclohexen-1-yl)iminobutan-2-yl]cyclohexan-1-amine?
The InChIKey is LLZJQFJTPVIMEF-CAPFRKAQSA-N. The full InChI is InChI=1S/C18H32N2/c1-13-9-5-7-11-17(13)19-15(3)16(4)20-18-12-8-6-10-14(18)2/h13,15,17,19H,5-12H2,1-4H3/b20-16+.
What are the key properties of 2-methyl-N-[3-(2-methylcyclohexen-1-yl)iminobutan-2-yl]cyclohexan-1-amine?
2-methyl-N-[3-(2-methylcyclohexen-1-yl)iminobutan-2-yl]cyclohexan-1-amine has a molecular weight of 276.47 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(2-methylcyclohexen-1-yl)iminobutan-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 91402890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).