N-[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]cyclohexanamine

C14H25N3 — CID 97159479

IUPACN-[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]cyclohexanamine
SMILESCc1ncn(C[C@H](C)NC2CCCCC2)c1C
InChIInChI=1S/C14H25N3/c1-11(16-14-7-5-4-6-8-14)9-17-10-15-12(2)13(17)3/h10-11,14,16H,4-9H2,1-3H3/t11-/m0/s1
InChIKeyUGAZQMBARHQOPY-NSHDSACASA-N
MW235.38 g/mol
LogP2.81
Rot. Bonds4

About N-[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]cyclohexanamine

N-[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]cyclohexanamine (PubChem CID 97159479) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is N-[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]cyclohexanamine.

Molecular Properties

Compound NameN-[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]cyclohexanamine
PubChem CID97159479
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC NameN-[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]cyclohexanamine
SMILESCc1ncn(C[C@H](C)NC2CCCCC2)c1C
InChIInChI=1S/C14H25N3/c1-11(16-14-7-5-4-6-8-14)9-17-10-15-12(2)13(17)3/h10-11,14,16H,4-9H2,1-3H3/t11-/m0/s1
InChIKeyUGAZQMBARHQOPY-NSHDSACASA-N
XLogP2.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]cyclohexanamine?
The IUPAC name of N-[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]cyclohexanamine (CID 97159479) is N-[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]cyclohexanamine.
What is the SMILES notation for N-[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]cyclohexanamine?
The canonical SMILES for N-[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]cyclohexanamine is Cc1ncn(C[C@H](C)NC2CCCCC2)c1C.
What is the InChIKey of N-[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]cyclohexanamine?
The InChIKey is UGAZQMBARHQOPY-NSHDSACASA-N. The full InChI is InChI=1S/C14H25N3/c1-11(16-14-7-5-4-6-8-14)9-17-10-15-12(2)13(17)3/h10-11,14,16H,4-9H2,1-3H3/t11-/m0/s1.
What are the key properties of N-[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]cyclohexanamine?
N-[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]cyclohexanamine has a molecular weight of 235.38 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]cyclohexanamine is sourced from PubChem (CID 97159479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).