N-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]propan-2-amine

C15H27N3 — CID 80611681

IUPACN-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cnc(C2CCCCCCC2)[nH]1
InChIInChI=1S/C15H27N3/c1-12(2)16-10-14-11-17-15(18-14)13-8-6-4-3-5-7-9-13/h11-13,16H,3-10H2,1-2H3,(H,17,18)
InChIKeyNUTLFGQDVKDHLY-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.74
Rot. Bonds4

About N-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]propan-2-amine

N-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]propan-2-amine (PubChem CID 80611681) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]propan-2-amine
PubChem CID80611681
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cnc(C2CCCCCCC2)[nH]1
InChIInChI=1S/C15H27N3/c1-12(2)16-10-14-11-17-15(18-14)13-8-6-4-3-5-7-9-13/h11-13,16H,3-10H2,1-2H3,(H,17,18)
InChIKeyNUTLFGQDVKDHLY-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]propan-2-amine?
The IUPAC name of N-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]propan-2-amine (CID 80611681) is N-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]propan-2-amine is CC(C)NCc1cnc(C2CCCCCCC2)[nH]1.
What is the InChIKey of N-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]propan-2-amine?
The InChIKey is NUTLFGQDVKDHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-12(2)16-10-14-11-17-15(18-14)13-8-6-4-3-5-7-9-13/h11-13,16H,3-10H2,1-2H3,(H,17,18).
What are the key properties of N-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]propan-2-amine?
N-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]propan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 80611681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).