cis-(1R,3S)-3-(1-methylimidazol-2-yl)cyclohexan-1-amine

C10H17N3 — CID 95367642

IUPACcis-(1R,3S)-3-(1-methylimidazol-2-yl)cyclohexan-1-amine
SMILESCn1ccnc1[C@H]1CCC[C@@H](N)C1
InChIInChI=1S/C10H17N3/c1-13-6-5-12-10(13)8-3-2-4-9(11)7-8/h5-6,8-9H,2-4,7,11H2,1H3/t8-,9+/m0/s1
InChIKeySQABZNUSMMDNOR-DTWKUNHWSA-N
MW179.27 g/mol
LogP1.40
Rot. Bonds1

About cis-(1R,3S)-3-(1-methylimidazol-2-yl)cyclohexan-1-amine

cis-(1R,3S)-3-(1-methylimidazol-2-yl)cyclohexan-1-amine (PubChem CID 95367642) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is cis-(1R,3S)-3-(1-methylimidazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,3S)-3-(1-methylimidazol-2-yl)cyclohexan-1-amine
PubChem CID95367642
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Namecis-(1R,3S)-3-(1-methylimidazol-2-yl)cyclohexan-1-amine
SMILESCn1ccnc1[C@H]1CCC[C@@H](N)C1
InChIInChI=1S/C10H17N3/c1-13-6-5-12-10(13)8-3-2-4-9(11)7-8/h5-6,8-9H,2-4,7,11H2,1H3/t8-,9+/m0/s1
InChIKeySQABZNUSMMDNOR-DTWKUNHWSA-N
XLogP1.40
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(1-methylimidazol-2-yl)cyclohexan-1-amine?
The IUPAC name of cis-(1R,3S)-3-(1-methylimidazol-2-yl)cyclohexan-1-amine (CID 95367642) is cis-(1R,3S)-3-(1-methylimidazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for cis-(1R,3S)-3-(1-methylimidazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for cis-(1R,3S)-3-(1-methylimidazol-2-yl)cyclohexan-1-amine is Cn1ccnc1[C@H]1CCC[C@@H](N)C1.
What is the InChIKey of cis-(1R,3S)-3-(1-methylimidazol-2-yl)cyclohexan-1-amine?
The InChIKey is SQABZNUSMMDNOR-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H17N3/c1-13-6-5-12-10(13)8-3-2-4-9(11)7-8/h5-6,8-9H,2-4,7,11H2,1H3/t8-,9+/m0/s1.
What are the key properties of cis-(1R,3S)-3-(1-methylimidazol-2-yl)cyclohexan-1-amine?
cis-(1R,3S)-3-(1-methylimidazol-2-yl)cyclohexan-1-amine has a molecular weight of 179.27 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(1-methylimidazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 95367642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).