N-(cyclohexylmethyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine

C15H27N3 — CID 62562843

IUPACN-(cyclohexylmethyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine
SMILESCC(C)c1nccn1CCNCC1CCCCC1
InChIInChI=1S/C15H27N3/c1-13(2)15-17-9-11-18(15)10-8-16-12-14-6-4-3-5-7-14/h9,11,13-14,16H,3-8,10,12H2,1-2H3
InChIKeyLEHSVDRTHBXTDW-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.18
Rot. Bonds6

About N-(cyclohexylmethyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine

N-(cyclohexylmethyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine (PubChem CID 62562843) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine
PubChem CID62562843
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-(cyclohexylmethyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine
SMILESCC(C)c1nccn1CCNCC1CCCCC1
InChIInChI=1S/C15H27N3/c1-13(2)15-17-9-11-18(15)10-8-16-12-14-6-4-3-5-7-14/h9,11,13-14,16H,3-8,10,12H2,1-2H3
InChIKeyLEHSVDRTHBXTDW-UHFFFAOYSA-N
XLogP3.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]cyclohexanamine
CID 55087304
N-(cyclopentylmethyl)-2-(2-ethylimidazol-1-yl)ethanamine
CID 62567010
3-cyclohexyl-1-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one
CID 90561013
1-[2-(cyclohexylmethylamino)ethyl]-3-ethylimidazol-2-one
CID 80582631
4-methyl-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]cyclohexan-1-amine
CID 62563536
1-(3-cyclopropylpropyl)-2-propan-2-ylimidazole
CID 167916960
N-cyclopentyloxy-2-(2-propan-2-ylimidazol-1-yl)acetamide
CID 167840548
2-(oxan-3-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]acetamide
CID 131911826
N',N'-diethyl-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]ethane-1,2-diamine
CID 62562672
1-[2-(cyclohexylmethylamino)ethyl]-3-propylimidazol-2-one
CID 80582596
[1-(methylamino)-2-[2-(2-propan-2-ylimidazol-1-yl)ethyl]cyclopentyl]methanol
CID 79571468
N-[1-cyclohexyl-2-(2-propan-2-ylimidazol-1-yl)ethyl]propan-1-amine
CID 104747255

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine?
The IUPAC name of N-(cyclohexylmethyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine (CID 62562843) is N-(cyclohexylmethyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine?
The canonical SMILES for N-(cyclohexylmethyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine is CC(C)c1nccn1CCNCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine?
The InChIKey is LEHSVDRTHBXTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-13(2)15-17-9-11-18(15)10-8-16-12-14-6-4-3-5-7-14/h9,11,13-14,16H,3-8,10,12H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine?
N-(cyclohexylmethyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine has a molecular weight of 249.40 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine is sourced from PubChem (CID 62562843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).