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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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).