N-[(1-butylimidazol-2-yl)methyl]cyclohexanamine

C14H25N3 — CID 46784421

IUPACN-[(1-butylimidazol-2-yl)methyl]cyclohexanamine
SMILESCCCCn1ccnc1CNC1CCCCC1
InChIInChI=1S/C14H25N3/c1-2-3-10-17-11-9-15-14(17)12-16-13-7-5-4-6-8-13/h9,11,13,16H,2-8,10,12H2,1H3
InChIKeyDTJZSDHCINVFIV-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.11
Rot. Bonds6

About N-[(1-butylimidazol-2-yl)methyl]cyclohexanamine

N-[(1-butylimidazol-2-yl)methyl]cyclohexanamine (PubChem CID 46784421) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[(1-butylimidazol-2-yl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(1-butylimidazol-2-yl)methyl]cyclohexanamine
PubChem CID46784421
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-[(1-butylimidazol-2-yl)methyl]cyclohexanamine
SMILESCCCCn1ccnc1CNC1CCCCC1
InChIInChI=1S/C14H25N3/c1-2-3-10-17-11-9-15-14(17)12-16-13-7-5-4-6-8-13/h9,11,13,16H,2-8,10,12H2,1H3
InChIKeyDTJZSDHCINVFIV-UHFFFAOYSA-N
XLogP3.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-octylimidazol-2-yl)methyl]cyclopropanamine
CID 55048995
1-butyl-N-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine
CID 62350120
N-[(1-propylimidazol-2-yl)methyl]oxan-4-amine
CID 62957533
3-methyl-N-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 62955948
N-[[1-(3-methylbutyl)imidazol-2-yl]methyl]cyclopropanamine
CID 62223232
N-[[1-[3-(oxolan-2-yl)propyl]imidazol-2-yl]methyl]cyclopropanamine
CID 65162326
N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine
CID 62415731
N-[(1-ethylimidazol-2-yl)methyl]thian-4-amine
CID 115641638
(1S)-1-cyclopentyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 81394730
3,3,5,5-tetramethyl-N-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 103965567
N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-2-yl]methyl]cyclopropanamine
CID 112591061
N-[(1-ethylimidazol-2-yl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471784

Frequently Asked Questions

What is the IUPAC name of N-[(1-butylimidazol-2-yl)methyl]cyclohexanamine?
The IUPAC name of N-[(1-butylimidazol-2-yl)methyl]cyclohexanamine (CID 46784421) is N-[(1-butylimidazol-2-yl)methyl]cyclohexanamine.
What is the SMILES notation for N-[(1-butylimidazol-2-yl)methyl]cyclohexanamine?
The canonical SMILES for N-[(1-butylimidazol-2-yl)methyl]cyclohexanamine is CCCCn1ccnc1CNC1CCCCC1.
What is the InChIKey of N-[(1-butylimidazol-2-yl)methyl]cyclohexanamine?
The InChIKey is DTJZSDHCINVFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-2-3-10-17-11-9-15-14(17)12-16-13-7-5-4-6-8-13/h9,11,13,16H,2-8,10,12H2,1H3.
What are the key properties of N-[(1-butylimidazol-2-yl)methyl]cyclohexanamine?
N-[(1-butylimidazol-2-yl)methyl]cyclohexanamine has a molecular weight of 235.37 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butylimidazol-2-yl)methyl]cyclohexanamine is sourced from PubChem (CID 46784421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).