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

C15H25N3 — CID 80611809

IUPACN-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]cyclopropanamine
SMILESc1nc(C2CCCCCCC2)[nH]c1CNC1CC1
InChIInChI=1S/C15H25N3/c1-2-4-6-12(7-5-3-1)15-17-11-14(18-15)10-16-13-8-9-13/h11-13,16H,1-10H2,(H,17,18)
InChIKeyPWQFSMWGVZTJCW-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.49
Rot. Bonds4

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

N-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]cyclopropanamine (PubChem CID 80611809) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]cyclopropanamine
PubChem CID80611809
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]cyclopropanamine
SMILESc1nc(C2CCCCCCC2)[nH]c1CNC1CC1
InChIInChI=1S/C15H25N3/c1-2-4-6-12(7-5-3-1)15-17-11-14(18-15)10-16-13-8-9-13/h11-13,16H,1-10H2,(H,17,18)
InChIKeyPWQFSMWGVZTJCW-UHFFFAOYSA-N
XLogP3.49
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.49
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]cyclopropanamine?
The IUPAC name of N-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]cyclopropanamine (CID 80611809) is N-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]cyclopropanamine is c1nc(C2CCCCCCC2)[nH]c1CNC1CC1.
What is the InChIKey of N-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]cyclopropanamine?
The InChIKey is PWQFSMWGVZTJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-2-4-6-12(7-5-3-1)15-17-11-14(18-15)10-16-13-8-9-13/h11-13,16H,1-10H2,(H,17,18).
What are the key properties of N-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]cyclopropanamine?
N-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]cyclopropanamine has a molecular weight of 247.39 g/mol, XLogP of 3.49, 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]cyclopropanamine is sourced from PubChem (CID 80611809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).