4-tert-butyl-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexan-1-amine

C15H27N3 — CID 65230583

IUPAC4-tert-butyl-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexan-1-amine
SMILESCC(C)(C)C1CCC(NCCc2cnc[nH]2)CC1
InChIInChI=1S/C15H27N3/c1-15(2,3)12-4-6-13(7-5-12)17-9-8-14-10-16-11-18-14/h10-13,17H,4-9H2,1-3H3,(H,16,18)
InChIKeyDAFFFYPXVUIERY-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.15
Rot. Bonds4

About 4-tert-butyl-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexan-1-amine

4-tert-butyl-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexan-1-amine (PubChem CID 65230583) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexan-1-amine
PubChem CID65230583
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name4-tert-butyl-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexan-1-amine
SMILESCC(C)(C)C1CCC(NCCc2cnc[nH]2)CC1
InChIInChI=1S/C15H27N3/c1-15(2,3)12-4-6-13(7-5-12)17-9-8-14-10-16-11-18-14/h10-13,17H,4-9H2,1-3H3,(H,16,18)
InChIKeyDAFFFYPXVUIERY-UHFFFAOYSA-N
XLogP3.15
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexan-1-amine (CID 65230583) is 4-tert-butyl-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexan-1-amine is CC(C)(C)C1CCC(NCCc2cnc[nH]2)CC1.
What is the InChIKey of 4-tert-butyl-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexan-1-amine?
The InChIKey is DAFFFYPXVUIERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-15(2,3)12-4-6-13(7-5-12)17-9-8-14-10-16-11-18-14/h10-13,17H,4-9H2,1-3H3,(H,16,18).
What are the key properties of 4-tert-butyl-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexan-1-amine?
4-tert-butyl-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 65230583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).