N-[3-(2,6-dimethylcyclohexen-1-yl)iminobutan-2-yl]-2,6-dimethylcyclohexan-1-amine

C20H36N2 — CID 91365576

IUPACN-[3-(2,6-dimethylcyclohexen-1-yl)iminobutan-2-yl]-2,6-dimethylcyclohexan-1-amine
SMILESCC1=C(/N=C(\C)C(C)NC2C(C)CCCC2C)C(C)CCC1
InChIInChI=1S/C20H36N2/c1-13-9-7-10-14(2)19(13)21-17(5)18(6)22-20-15(3)11-8-12-16(20)4/h13-15,17,19,21H,7-12H2,1-6H3/b22-18+
InChIKeyLXJGKBNORRQSPN-RELWKKBWSA-N
MW304.52 g/mol
LogP5.34
Rot. Bonds4

About N-[3-(2,6-dimethylcyclohexen-1-yl)iminobutan-2-yl]-2,6-dimethylcyclohexan-1-amine

N-[3-(2,6-dimethylcyclohexen-1-yl)iminobutan-2-yl]-2,6-dimethylcyclohexan-1-amine (PubChem CID 91365576) has the molecular formula C20H36N2 and a molecular weight of 304.52 g/mol. Its IUPAC name is N-[3-(2,6-dimethylcyclohexen-1-yl)iminobutan-2-yl]-2,6-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[3-(2,6-dimethylcyclohexen-1-yl)iminobutan-2-yl]-2,6-dimethylcyclohexan-1-amine
PubChem CID91365576
Molecular FormulaC20H36N2
Molecular Weight304.52 g/mol
Exact Mass304.29
IUPAC NameN-[3-(2,6-dimethylcyclohexen-1-yl)iminobutan-2-yl]-2,6-dimethylcyclohexan-1-amine
SMILESCC1=C(/N=C(\C)C(C)NC2C(C)CCCC2C)C(C)CCC1
InChIInChI=1S/C20H36N2/c1-13-9-7-10-14(2)19(13)21-17(5)18(6)22-20-15(3)11-8-12-16(20)4/h13-15,17,19,21H,7-12H2,1-6H3/b22-18+
InChIKeyLXJGKBNORRQSPN-RELWKKBWSA-N
XLogP5.34
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.52
LogP ≤ 55.34
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 N-[3-(2,6-dimethylcyclohexen-1-yl)iminobutan-2-yl]-2,6-dimethylcyclohexan-1-amine?
The IUPAC name of N-[3-(2,6-dimethylcyclohexen-1-yl)iminobutan-2-yl]-2,6-dimethylcyclohexan-1-amine (CID 91365576) is N-[3-(2,6-dimethylcyclohexen-1-yl)iminobutan-2-yl]-2,6-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[3-(2,6-dimethylcyclohexen-1-yl)iminobutan-2-yl]-2,6-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[3-(2,6-dimethylcyclohexen-1-yl)iminobutan-2-yl]-2,6-dimethylcyclohexan-1-amine is CC1=C(/N=C(\C)C(C)NC2C(C)CCCC2C)C(C)CCC1.
What is the InChIKey of N-[3-(2,6-dimethylcyclohexen-1-yl)iminobutan-2-yl]-2,6-dimethylcyclohexan-1-amine?
The InChIKey is LXJGKBNORRQSPN-RELWKKBWSA-N. The full InChI is InChI=1S/C20H36N2/c1-13-9-7-10-14(2)19(13)21-17(5)18(6)22-20-15(3)11-8-12-16(20)4/h13-15,17,19,21H,7-12H2,1-6H3/b22-18+.
What are the key properties of N-[3-(2,6-dimethylcyclohexen-1-yl)iminobutan-2-yl]-2,6-dimethylcyclohexan-1-amine?
N-[3-(2,6-dimethylcyclohexen-1-yl)iminobutan-2-yl]-2,6-dimethylcyclohexan-1-amine has a molecular weight of 304.52 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dimethylcyclohexen-1-yl)iminobutan-2-yl]-2,6-dimethylcyclohexan-1-amine is sourced from PubChem (CID 91365576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).