cis-(1S,2R)-N-(2-imidazol-1-ylethyl)-N,2-dimethylcyclohexan-1-amine

C13H23N3 — CID 99581081

IUPACcis-(1S,2R)-N-(2-imidazol-1-ylethyl)-N,2-dimethylcyclohexan-1-amine
SMILESC[C@@H]1CCCC[C@@H]1N(C)CCn1ccnc1
InChIInChI=1S/C13H23N3/c1-12-5-3-4-6-13(12)15(2)9-10-16-8-7-14-11-16/h7-8,11-13H,3-6,9-10H2,1-2H3/t12-,13+/m1/s1
InChIKeyANXANKBEWPXVKS-OLZOCXBDSA-N
MW221.35 g/mol
LogP2.39
Rot. Bonds4

About cis-(1S,2R)-N-(2-imidazol-1-ylethyl)-N,2-dimethylcyclohexan-1-amine

cis-(1S,2R)-N-(2-imidazol-1-ylethyl)-N,2-dimethylcyclohexan-1-amine (PubChem CID 99581081) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is cis-(1S,2R)-N-(2-imidazol-1-ylethyl)-N,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-N-(2-imidazol-1-ylethyl)-N,2-dimethylcyclohexan-1-amine
PubChem CID99581081
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Namecis-(1S,2R)-N-(2-imidazol-1-ylethyl)-N,2-dimethylcyclohexan-1-amine
SMILESC[C@@H]1CCCC[C@@H]1N(C)CCn1ccnc1
InChIInChI=1S/C13H23N3/c1-12-5-3-4-6-13(12)15(2)9-10-16-8-7-14-11-16/h7-8,11-13H,3-6,9-10H2,1-2H3/t12-,13+/m1/s1
InChIKeyANXANKBEWPXVKS-OLZOCXBDSA-N
XLogP2.39
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-N-(2-imidazol-1-ylethyl)-N,2-dimethylcyclohexan-1-amine
CID 99581089
2-bromo-N-(3-imidazol-1-ylpropyl)-N-methylcyclohexan-1-amine
CID 102637243
4-[2-imidazol-1-ylethyl(methyl)amino]cyclohexan-1-one
CID 79119511
N-(2-imidazol-1-ylethyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 79120650
1-[[(1R,2S)-2-(imidazol-1-ylmethyl)cyclohexyl]methyl]imidazole
CID 118636677
N-(3-imidazol-1-ylpropyl)-N,4-dimethylpyrimidin-2-amine
CID 133376553
2-imidazol-1-yl-N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]ethanamine
CID 128987589
1-(cyclooctylmethyl)imidazole
CID 20550238
1-(imidazol-1-ylmethyl)-4-methylcyclohexan-1-ol
CID 59088177
6-imidazol-1-yl-4-N-methyl-4-N-(2-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 80787769
2-imidazol-1-ylethanol
CID 159023310
N'-(3-imidazol-1-ylpropyl)-N'-methylpentane-1,5-diamine
CID 107207249

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-(2-imidazol-1-ylethyl)-N,2-dimethylcyclohexan-1-amine?
The IUPAC name of cis-(1S,2R)-N-(2-imidazol-1-ylethyl)-N,2-dimethylcyclohexan-1-amine (CID 99581081) is cis-(1S,2R)-N-(2-imidazol-1-ylethyl)-N,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for cis-(1S,2R)-N-(2-imidazol-1-ylethyl)-N,2-dimethylcyclohexan-1-amine?
The canonical SMILES for cis-(1S,2R)-N-(2-imidazol-1-ylethyl)-N,2-dimethylcyclohexan-1-amine is C[C@@H]1CCCC[C@@H]1N(C)CCn1ccnc1.
What is the InChIKey of cis-(1S,2R)-N-(2-imidazol-1-ylethyl)-N,2-dimethylcyclohexan-1-amine?
The InChIKey is ANXANKBEWPXVKS-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H23N3/c1-12-5-3-4-6-13(12)15(2)9-10-16-8-7-14-11-16/h7-8,11-13H,3-6,9-10H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of cis-(1S,2R)-N-(2-imidazol-1-ylethyl)-N,2-dimethylcyclohexan-1-amine?
cis-(1S,2R)-N-(2-imidazol-1-ylethyl)-N,2-dimethylcyclohexan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-(2-imidazol-1-ylethyl)-N,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 99581081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).