(2R)-2-[amino-[(1R)-cyclohexa-2,4-dien-1-yl]methyl]-N,2-dimethylcyclohexan-1-amine

C15H26N2 — CID 155148798

IUPAC(2R)-2-[amino-[(1R)-cyclohexa-2,4-dien-1-yl]methyl]-N,2-dimethylcyclohexan-1-amine
SMILESCNC1CCCC[C@]1(C)C(N)[C@H]1C=CC=CC1
InChIInChI=1S/C15H26N2/c1-15(11-7-6-10-13(15)17-2)14(16)12-8-4-3-5-9-12/h3-5,8,12-14,17H,6-7,9-11,16H2,1-2H3/t12-,13?,14?,15-/m0/s1
InChIKeyQCTKYVPJWMUHQL-PPWQZUPISA-N
MW234.39 g/mol
LogP2.61
Rot. Bonds3

About (2R)-2-[amino-[(1R)-cyclohexa-2,4-dien-1-yl]methyl]-N,2-dimethylcyclohexan-1-amine

(2R)-2-[amino-[(1R)-cyclohexa-2,4-dien-1-yl]methyl]-N,2-dimethylcyclohexan-1-amine (PubChem CID 155148798) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is (2R)-2-[amino-[(1R)-cyclohexa-2,4-dien-1-yl]methyl]-N,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name(2R)-2-[amino-[(1R)-cyclohexa-2,4-dien-1-yl]methyl]-N,2-dimethylcyclohexan-1-amine
PubChem CID155148798
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name(2R)-2-[amino-[(1R)-cyclohexa-2,4-dien-1-yl]methyl]-N,2-dimethylcyclohexan-1-amine
SMILESCNC1CCCC[C@]1(C)C(N)[C@H]1C=CC=CC1
InChIInChI=1S/C15H26N2/c1-15(11-7-6-10-13(15)17-2)14(16)12-8-4-3-5-9-12/h3-5,8,12-14,17H,6-7,9-11,16H2,1-2H3/t12-,13?,14?,15-/m0/s1
InChIKeyQCTKYVPJWMUHQL-PPWQZUPISA-N
XLogP2.61
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[amino-[(1R)-cyclohexa-2,4-dien-1-yl]methyl]-N,2-dimethylcyclohexan-1-amine?
The IUPAC name of (2R)-2-[amino-[(1R)-cyclohexa-2,4-dien-1-yl]methyl]-N,2-dimethylcyclohexan-1-amine (CID 155148798) is (2R)-2-[amino-[(1R)-cyclohexa-2,4-dien-1-yl]methyl]-N,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for (2R)-2-[amino-[(1R)-cyclohexa-2,4-dien-1-yl]methyl]-N,2-dimethylcyclohexan-1-amine?
The canonical SMILES for (2R)-2-[amino-[(1R)-cyclohexa-2,4-dien-1-yl]methyl]-N,2-dimethylcyclohexan-1-amine is CNC1CCCC[C@]1(C)C(N)[C@H]1C=CC=CC1.
What is the InChIKey of (2R)-2-[amino-[(1R)-cyclohexa-2,4-dien-1-yl]methyl]-N,2-dimethylcyclohexan-1-amine?
The InChIKey is QCTKYVPJWMUHQL-PPWQZUPISA-N. The full InChI is InChI=1S/C15H26N2/c1-15(11-7-6-10-13(15)17-2)14(16)12-8-4-3-5-9-12/h3-5,8,12-14,17H,6-7,9-11,16H2,1-2H3/t12-,13?,14?,15-/m0/s1.
What are the key properties of (2R)-2-[amino-[(1R)-cyclohexa-2,4-dien-1-yl]methyl]-N,2-dimethylcyclohexan-1-amine?
(2R)-2-[amino-[(1R)-cyclohexa-2,4-dien-1-yl]methyl]-N,2-dimethylcyclohexan-1-amine has a molecular weight of 234.39 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[amino-[(1R)-cyclohexa-2,4-dien-1-yl]methyl]-N,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 155148798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).