4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexan-1-amine

C12H21N3 — CID 81014981

IUPAC4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexan-1-amine
SMILESCn1ccnc1C1CC(C)(C)CCC1N
InChIInChI=1S/C12H21N3/c1-12(2)5-4-10(13)9(8-12)11-14-6-7-15(11)3/h6-7,9-10H,4-5,8,13H2,1-3H3
InChIKeyFFERXHFEATVBKI-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.04
Rot. Bonds1

About 4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexan-1-amine

4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexan-1-amine (PubChem CID 81014981) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexan-1-amine
PubChem CID81014981
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexan-1-amine
SMILESCn1ccnc1C1CC(C)(C)CCC1N
InChIInChI=1S/C12H21N3/c1-12(2)5-4-10(13)9(8-12)11-14-6-7-15(11)3/h6-7,9-10H,4-5,8,13H2,1-3H3
InChIKeyFFERXHFEATVBKI-UHFFFAOYSA-N
XLogP2.04
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81031185
N-[[4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexyl]methyl]propan-1-amine
CID 81030137
[2-(1-ethylimidazol-2-yl)-4,4-dimethylcyclohexyl]methanamine
CID 81012620
N-methyl-2-(1-methylimidazol-2-yl)cycloheptan-1-amine
CID 63977093
trans-(1R,2S)-2-(1-methylimidazol-2-yl)cyclohexan-1-ol
CID 7140327
4,4-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
CID 106784508
3-methyl-3-(1-methylimidazol-2-yl)cyclopentan-1-amine
CID 116538901
2-N-methyl-2-N-(1-methylimidazol-2-yl)cyclohexane-1,2-diamine
CID 102639462
1-[4,4-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]-N-methylmethanamine
CID 114533039
2-cyclopentyl-1-methylimidazole
CID 83382106
(2R,3R,5S,6S)-2,3,5,6-tetrakis(1-methylimidazol-2-yl)piperazine
CID 132558437
3-methyl-3-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-amine
CID 114532157

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexan-1-amine?
The IUPAC name of 4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexan-1-amine (CID 81014981) is 4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for 4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexan-1-amine is Cn1ccnc1C1CC(C)(C)CCC1N.
What is the InChIKey of 4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexan-1-amine?
The InChIKey is FFERXHFEATVBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-12(2)5-4-10(13)9(8-12)11-14-6-7-15(11)3/h6-7,9-10H,4-5,8,13H2,1-3H3.
What are the key properties of 4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexan-1-amine?
4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 81014981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).