N-[[2-(4,4-dimethylcyclohexyl)-1H-imidazol-5-yl]methyl]ethanamine

C14H25N3 — CID 65391075

IUPACN-[[2-(4,4-dimethylcyclohexyl)-1H-imidazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(C2CCC(C)(C)CC2)[nH]1
InChIInChI=1S/C14H25N3/c1-4-15-9-12-10-16-13(17-12)11-5-7-14(2,3)8-6-11/h10-11,15H,4-9H2,1-3H3,(H,16,17)
InChIKeyXWUDVBDLJUHYGS-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.20
Rot. Bonds4

About N-[[2-(4,4-dimethylcyclohexyl)-1H-imidazol-5-yl]methyl]ethanamine

N-[[2-(4,4-dimethylcyclohexyl)-1H-imidazol-5-yl]methyl]ethanamine (PubChem CID 65391075) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[[2-(4,4-dimethylcyclohexyl)-1H-imidazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(4,4-dimethylcyclohexyl)-1H-imidazol-5-yl]methyl]ethanamine
PubChem CID65391075
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-[[2-(4,4-dimethylcyclohexyl)-1H-imidazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(C2CCC(C)(C)CC2)[nH]1
InChIInChI=1S/C14H25N3/c1-4-15-9-12-10-16-13(17-12)11-5-7-14(2,3)8-6-11/h10-11,15H,4-9H2,1-3H3,(H,16,17)
InChIKeyXWUDVBDLJUHYGS-UHFFFAOYSA-N
XLogP3.20
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4,4-dimethylcyclohexyl)-1H-imidazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(4,4-dimethylcyclohexyl)-1H-imidazol-5-yl]methyl]ethanamine (CID 65391075) is N-[[2-(4,4-dimethylcyclohexyl)-1H-imidazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(4,4-dimethylcyclohexyl)-1H-imidazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(4,4-dimethylcyclohexyl)-1H-imidazol-5-yl]methyl]ethanamine is CCNCc1cnc(C2CCC(C)(C)CC2)[nH]1.
What is the InChIKey of N-[[2-(4,4-dimethylcyclohexyl)-1H-imidazol-5-yl]methyl]ethanamine?
The InChIKey is XWUDVBDLJUHYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-4-15-9-12-10-16-13(17-12)11-5-7-14(2,3)8-6-11/h10-11,15H,4-9H2,1-3H3,(H,16,17).
What are the key properties of N-[[2-(4,4-dimethylcyclohexyl)-1H-imidazol-5-yl]methyl]ethanamine?
N-[[2-(4,4-dimethylcyclohexyl)-1H-imidazol-5-yl]methyl]ethanamine has a molecular weight of 235.37 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4,4-dimethylcyclohexyl)-1H-imidazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 65391075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).