2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]cyclohexan-1-amine

C14H25N3 — CID 79871377

IUPAC2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]cyclohexan-1-amine
SMILESCc1nccn1CCNC1CCCCC1(C)C
InChIInChI=1S/C14H25N3/c1-12-15-8-10-17(12)11-9-16-13-6-4-5-7-14(13,2)3/h8,10,13,16H,4-7,9,11H2,1-3H3
InChIKeyGSHDCGBXGYMBEN-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.75
Rot. Bonds4

About 2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]cyclohexan-1-amine

2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]cyclohexan-1-amine (PubChem CID 79871377) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]cyclohexan-1-amine
PubChem CID79871377
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]cyclohexan-1-amine
SMILESCc1nccn1CCNC1CCCCC1(C)C
InChIInChI=1S/C14H25N3/c1-12-15-8-10-17(12)11-9-16-13-6-4-5-7-14(13,2)3/h8,10,13,16H,4-7,9,11H2,1-3H3
InChIKeyGSHDCGBXGYMBEN-UHFFFAOYSA-N
XLogP2.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylcyclopentyl)methyl]-2-(2-methylimidazol-1-yl)ethanamine
CID 63821869
N-[4-(2-methylimidazol-1-yl)butyl]cyclopentanamine
CID 115654607
2,2-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine
CID 80681012
9-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471446
[1-[2-(2-methylimidazol-1-yl)ethylamino]cyclohexyl]methanol
CID 55082128
N-[(1-ethylcyclopentyl)methyl]-2-(2-methylimidazol-1-yl)ethanamine
CID 114125143
2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79828821
1-amino-N-[2-(2-methylimidazol-1-yl)ethyl]cyclohexane-1-carboxamide
CID 119869306
N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79870277
2,2-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclopentan-1-amine
CID 104695058
2,2-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine
CID 79857291
2-(2-methylimidazol-1-yl)-N-(thiolan-2-ylmethyl)ethanamine
CID 80585420

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]cyclohexan-1-amine (CID 79871377) is 2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]cyclohexan-1-amine is Cc1nccn1CCNC1CCCCC1(C)C.
What is the InChIKey of 2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]cyclohexan-1-amine?
The InChIKey is GSHDCGBXGYMBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-12-15-8-10-17(12)11-9-16-13-6-4-5-7-14(13,2)3/h8,10,13,16H,4-7,9,11H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]cyclohexan-1-amine?
2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]cyclohexan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 79871377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).