2-(3-cyclohexylimidazol-4-yl)-N-methylpropan-2-amine

C13H23N3 — CID 114708042

IUPAC2-(3-cyclohexylimidazol-4-yl)-N-methylpropan-2-amine
SMILESCNC(C)(C)c1cncn1C1CCCCC1
InChIInChI=1S/C13H23N3/c1-13(2,14-3)12-9-15-10-16(12)11-7-5-4-6-8-11/h9-11,14H,4-8H2,1-3H3
InChIKeyVJFWMTYZYAGFSA-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.84
Rot. Bonds3

About 2-(3-cyclohexylimidazol-4-yl)-N-methylpropan-2-amine

2-(3-cyclohexylimidazol-4-yl)-N-methylpropan-2-amine (PubChem CID 114708042) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-(3-cyclohexylimidazol-4-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-(3-cyclohexylimidazol-4-yl)-N-methylpropan-2-amine
PubChem CID114708042
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-(3-cyclohexylimidazol-4-yl)-N-methylpropan-2-amine
SMILESCNC(C)(C)c1cncn1C1CCCCC1
InChIInChI=1S/C13H23N3/c1-13(2,14-3)12-9-15-10-16(12)11-7-5-4-6-8-11/h9-11,14H,4-8H2,1-3H3
InChIKeyVJFWMTYZYAGFSA-UHFFFAOYSA-N
XLogP2.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[3-(1-oxothian-4-yl)imidazol-4-yl]propan-2-amine
CID 114708440
2-[3-(thian-3-yl)imidazol-4-yl]propan-2-amine
CID 114707847
N-methyl-2-(3-propan-2-ylimidazol-4-yl)propan-2-amine
CID 114708057
methyl 3-cyclohexylimidazole-4-carboxylate
CID 14497626
N-methyl-2-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]propan-2-amine
CID 114708201
1-(3-cyclohexylimidazol-4-yl)propan-2-one
CID 83882909
5-(chloromethyl)-1-cyclohexylimidazole;hydrochloride
CID 53398878
N-[(3-cycloheptylimidazol-4-yl)methyl]-2-methylpropan-1-amine
CID 66147142
N-methyl-2-(3-pentan-3-ylimidazol-4-yl)propan-2-amine
CID 114708037
2-(3-cyclooctylimidazol-4-yl)ethanamine
CID 114716513
1-cyclopentyl-5-pyrrolidin-2-ylimidazole
CID 114703551
N-[2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]ethyl]cyclopropanecarboxamide
CID 114708453

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexylimidazol-4-yl)-N-methylpropan-2-amine?
The IUPAC name of 2-(3-cyclohexylimidazol-4-yl)-N-methylpropan-2-amine (CID 114708042) is 2-(3-cyclohexylimidazol-4-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 2-(3-cyclohexylimidazol-4-yl)-N-methylpropan-2-amine?
The canonical SMILES for 2-(3-cyclohexylimidazol-4-yl)-N-methylpropan-2-amine is CNC(C)(C)c1cncn1C1CCCCC1.
What is the InChIKey of 2-(3-cyclohexylimidazol-4-yl)-N-methylpropan-2-amine?
The InChIKey is VJFWMTYZYAGFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-13(2,14-3)12-9-15-10-16(12)11-7-5-4-6-8-11/h9-11,14H,4-8H2,1-3H3.
What are the key properties of 2-(3-cyclohexylimidazol-4-yl)-N-methylpropan-2-amine?
2-(3-cyclohexylimidazol-4-yl)-N-methylpropan-2-amine has a molecular weight of 221.35 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexylimidazol-4-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 114708042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).