cis-(1R,2S)-2-imidazol-1-yl-N-(3-methylbutyl)cyclohexan-1-amine

C14H25N3 — CID 165456995

IUPACcis-(1R,2S)-2-imidazol-1-yl-N-(3-methylbutyl)cyclohexan-1-amine
SMILESCC(C)CCN[C@@H]1CCCC[C@@H]1n1ccnc1
InChIInChI=1S/C14H25N3/c1-12(2)7-8-16-13-5-3-4-6-14(13)17-10-9-15-11-17/h9-14,16H,3-8H2,1-2H3/t13-,14+/m1/s1
InChIKeyMXUAMJNRXGCOHH-KGLIPLIRSA-N
MW235.38 g/mol
LogP3.00
Rot. Bonds5

About cis-(1R,2S)-2-imidazol-1-yl-N-(3-methylbutyl)cyclohexan-1-amine

cis-(1R,2S)-2-imidazol-1-yl-N-(3-methylbutyl)cyclohexan-1-amine (PubChem CID 165456995) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is cis-(1R,2S)-2-imidazol-1-yl-N-(3-methylbutyl)cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-2-imidazol-1-yl-N-(3-methylbutyl)cyclohexan-1-amine
PubChem CID165456995
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Namecis-(1R,2S)-2-imidazol-1-yl-N-(3-methylbutyl)cyclohexan-1-amine
SMILESCC(C)CCN[C@@H]1CCCC[C@@H]1n1ccnc1
InChIInChI=1S/C14H25N3/c1-12(2)7-8-16-13-5-3-4-6-14(13)17-10-9-15-11-17/h9-14,16H,3-8H2,1-2H3/t13-,14+/m1/s1
InChIKeyMXUAMJNRXGCOHH-KGLIPLIRSA-N
XLogP3.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-imidazol-1-yl-N-(3-methylbutyl)cyclohexan-1-amine?
The IUPAC name of cis-(1R,2S)-2-imidazol-1-yl-N-(3-methylbutyl)cyclohexan-1-amine (CID 165456995) is cis-(1R,2S)-2-imidazol-1-yl-N-(3-methylbutyl)cyclohexan-1-amine.
What is the SMILES notation for cis-(1R,2S)-2-imidazol-1-yl-N-(3-methylbutyl)cyclohexan-1-amine?
The canonical SMILES for cis-(1R,2S)-2-imidazol-1-yl-N-(3-methylbutyl)cyclohexan-1-amine is CC(C)CCN[C@@H]1CCCC[C@@H]1n1ccnc1.
What is the InChIKey of cis-(1R,2S)-2-imidazol-1-yl-N-(3-methylbutyl)cyclohexan-1-amine?
The InChIKey is MXUAMJNRXGCOHH-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H25N3/c1-12(2)7-8-16-13-5-3-4-6-14(13)17-10-9-15-11-17/h9-14,16H,3-8H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of cis-(1R,2S)-2-imidazol-1-yl-N-(3-methylbutyl)cyclohexan-1-amine?
cis-(1R,2S)-2-imidazol-1-yl-N-(3-methylbutyl)cyclohexan-1-amine has a molecular weight of 235.38 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-imidazol-1-yl-N-(3-methylbutyl)cyclohexan-1-amine is sourced from PubChem (CID 165456995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).