N-[(3-cycloheptylimidazol-4-yl)methyl]-2-methylpropan-1-amine

C15H27N3 — CID 66147142

IUPACN-[(3-cycloheptylimidazol-4-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cncn1C1CCCCCC1
InChIInChI=1S/C15H27N3/c1-13(2)9-16-10-15-11-17-12-18(15)14-7-5-3-4-6-8-14/h11-14,16H,3-10H2,1-2H3
InChIKeyBIYCEFGFMGCKDB-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.52
Rot. Bonds5

About N-[(3-cycloheptylimidazol-4-yl)methyl]-2-methylpropan-1-amine

N-[(3-cycloheptylimidazol-4-yl)methyl]-2-methylpropan-1-amine (PubChem CID 66147142) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[(3-cycloheptylimidazol-4-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-cycloheptylimidazol-4-yl)methyl]-2-methylpropan-1-amine
PubChem CID66147142
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[(3-cycloheptylimidazol-4-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cncn1C1CCCCCC1
InChIInChI=1S/C15H27N3/c1-13(2)9-16-10-15-11-17-12-18(15)14-7-5-3-4-6-8-14/h11-14,16H,3-10H2,1-2H3
InChIKeyBIYCEFGFMGCKDB-UHFFFAOYSA-N
XLogP3.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cycloheptylimidazol-4-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(3-cycloheptylimidazol-4-yl)methyl]-2-methylpropan-1-amine (CID 66147142) is N-[(3-cycloheptylimidazol-4-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(3-cycloheptylimidazol-4-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(3-cycloheptylimidazol-4-yl)methyl]-2-methylpropan-1-amine is CC(C)CNCc1cncn1C1CCCCCC1.
What is the InChIKey of N-[(3-cycloheptylimidazol-4-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is BIYCEFGFMGCKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-13(2)9-16-10-15-11-17-12-18(15)14-7-5-3-4-6-8-14/h11-14,16H,3-10H2,1-2H3.
What are the key properties of N-[(3-cycloheptylimidazol-4-yl)methyl]-2-methylpropan-1-amine?
N-[(3-cycloheptylimidazol-4-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cycloheptylimidazol-4-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 66147142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).