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

C18H32N2 — CID 90721381

IUPACN-[2-(2,6-dimethylcyclohexen-1-yl)iminoethyl]-2,6-dimethylcyclohexan-1-amine
SMILESCC1=C(/N=C/CNC2C(C)CCCC2C)C(C)CCC1
InChIInChI=1S/C18H32N2/c1-13-7-5-8-14(2)17(13)19-11-12-20-18-15(3)9-6-10-16(18)4/h11,13,15-16,18,20H,5-10,12H2,1-4H3/b19-11+
InChIKeyKLPAXUMZJUQWOT-YBFXNURJSA-N
MW276.47 g/mol
LogP4.57
Rot. Bonds4

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

N-[2-(2,6-dimethylcyclohexen-1-yl)iminoethyl]-2,6-dimethylcyclohexan-1-amine (PubChem CID 90721381) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N-[2-(2,6-dimethylcyclohexen-1-yl)iminoethyl]-2,6-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(2,6-dimethylcyclohexen-1-yl)iminoethyl]-2,6-dimethylcyclohexan-1-amine
PubChem CID90721381
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN-[2-(2,6-dimethylcyclohexen-1-yl)iminoethyl]-2,6-dimethylcyclohexan-1-amine
SMILESCC1=C(/N=C/CNC2C(C)CCCC2C)C(C)CCC1
InChIInChI=1S/C18H32N2/c1-13-7-5-8-14(2)17(13)19-11-12-20-18-15(3)9-6-10-16(18)4/h11,13,15-16,18,20H,5-10,12H2,1-4H3/b19-11+
InChIKeyKLPAXUMZJUQWOT-YBFXNURJSA-N
XLogP4.57
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 ≤ 54.57
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-[2-(2,6-dimethylcyclohexen-1-yl)iminoethyl]-2,6-dimethylcyclohexan-1-amine?
The IUPAC name of N-[2-(2,6-dimethylcyclohexen-1-yl)iminoethyl]-2,6-dimethylcyclohexan-1-amine (CID 90721381) is N-[2-(2,6-dimethylcyclohexen-1-yl)iminoethyl]-2,6-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(2,6-dimethylcyclohexen-1-yl)iminoethyl]-2,6-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[2-(2,6-dimethylcyclohexen-1-yl)iminoethyl]-2,6-dimethylcyclohexan-1-amine is CC1=C(/N=C/CNC2C(C)CCCC2C)C(C)CCC1.
What is the InChIKey of N-[2-(2,6-dimethylcyclohexen-1-yl)iminoethyl]-2,6-dimethylcyclohexan-1-amine?
The InChIKey is KLPAXUMZJUQWOT-YBFXNURJSA-N. The full InChI is InChI=1S/C18H32N2/c1-13-7-5-8-14(2)17(13)19-11-12-20-18-15(3)9-6-10-16(18)4/h11,13,15-16,18,20H,5-10,12H2,1-4H3/b19-11+.
What are the key properties of N-[2-(2,6-dimethylcyclohexen-1-yl)iminoethyl]-2,6-dimethylcyclohexan-1-amine?
N-[2-(2,6-dimethylcyclohexen-1-yl)iminoethyl]-2,6-dimethylcyclohexan-1-amine has a molecular weight of 276.47 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylcyclohexen-1-yl)iminoethyl]-2,6-dimethylcyclohexan-1-amine is sourced from PubChem (CID 90721381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).