N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylcyclohexan-1-amine

C14H25N3 — CID 78928226

IUPACN-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCCCC1NCc1nccn1C
InChIInChI=1S/C14H25N3/c1-11(2)12-6-4-5-7-13(12)16-10-14-15-8-9-17(14)3/h8-9,11-13,16H,4-7,10H2,1-3H3
InChIKeyDJDBDYSCVJKFNA-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.72
Rot. Bonds4

About N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylcyclohexan-1-amine

N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylcyclohexan-1-amine (PubChem CID 78928226) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylcyclohexan-1-amine
PubChem CID78928226
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCCCC1NCc1nccn1C
InChIInChI=1S/C14H25N3/c1-11(2)12-6-4-5-7-13(12)16-10-14-15-8-9-17(14)3/h8-9,11-13,16H,4-7,10H2,1-3H3
InChIKeyDJDBDYSCVJKFNA-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 61466819
2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 43088207
N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine
CID 62415731
N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 103701192
(1S)-1-cyclopentyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 81386227
4-methyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine
CID 65080394
N-[(1-methylimidazol-2-yl)methyl]-2-propylcyclopropan-1-amine;hydrochloride
CID 115664709
2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine
CID 61214730
N-[(1-methylimidazol-2-yl)methyl]thian-3-amine
CID 63292249
4-ethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 61470208
2-[2-(1-methylimidazol-2-yl)ethyl]-N-propylcyclohexan-1-amine
CID 114528631
2-methyl-N-[[2-[(1-methylimidazol-2-yl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81025135

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylcyclohexan-1-amine (CID 78928226) is N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylcyclohexan-1-amine is CC(C)C1CCCCC1NCc1nccn1C.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is DJDBDYSCVJKFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-11(2)12-6-4-5-7-13(12)16-10-14-15-8-9-17(14)3/h8-9,11-13,16H,4-7,10H2,1-3H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylcyclohexan-1-amine?
N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 78928226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).