N-[(1-benzylcyclobutyl)methyl]-1-(1H-imidazol-2-yl)methanamine

C16H21N3 — CID 71971289

IUPACN-[(1-benzylcyclobutyl)methyl]-1-(1H-imidazol-2-yl)methanamine
SMILESc1ccc(CC2(CNCc3ncc[nH]3)CCC2)cc1
InChIInChI=1S/C16H21N3/c1-2-5-14(6-3-1)11-16(7-4-8-16)13-17-12-15-18-9-10-19-15/h1-3,5-6,9-10,17H,4,7-8,11-13H2,(H,18,19)
InChIKeyIOSWUGOCVPSVKD-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.91
Rot. Bonds6

About N-[(1-benzylcyclobutyl)methyl]-1-(1H-imidazol-2-yl)methanamine

N-[(1-benzylcyclobutyl)methyl]-1-(1H-imidazol-2-yl)methanamine (PubChem CID 71971289) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-[(1-benzylcyclobutyl)methyl]-1-(1H-imidazol-2-yl)methanamine.

Molecular Properties

Compound NameN-[(1-benzylcyclobutyl)methyl]-1-(1H-imidazol-2-yl)methanamine
PubChem CID71971289
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-[(1-benzylcyclobutyl)methyl]-1-(1H-imidazol-2-yl)methanamine
SMILESc1ccc(CC2(CNCc3ncc[nH]3)CCC2)cc1
InChIInChI=1S/C16H21N3/c1-2-5-14(6-3-1)11-16(7-4-8-16)13-17-12-15-18-9-10-19-15/h1-3,5-6,9-10,17H,4,7-8,11-13H2,(H,18,19)
InChIKeyIOSWUGOCVPSVKD-UHFFFAOYSA-N
XLogP2.91
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylcyclobutyl)methyl]-1-(1H-imidazol-2-yl)methanamine?
The IUPAC name of N-[(1-benzylcyclobutyl)methyl]-1-(1H-imidazol-2-yl)methanamine (CID 71971289) is N-[(1-benzylcyclobutyl)methyl]-1-(1H-imidazol-2-yl)methanamine.
What is the SMILES notation for N-[(1-benzylcyclobutyl)methyl]-1-(1H-imidazol-2-yl)methanamine?
The canonical SMILES for N-[(1-benzylcyclobutyl)methyl]-1-(1H-imidazol-2-yl)methanamine is c1ccc(CC2(CNCc3ncc[nH]3)CCC2)cc1.
What is the InChIKey of N-[(1-benzylcyclobutyl)methyl]-1-(1H-imidazol-2-yl)methanamine?
The InChIKey is IOSWUGOCVPSVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-2-5-14(6-3-1)11-16(7-4-8-16)13-17-12-15-18-9-10-19-15/h1-3,5-6,9-10,17H,4,7-8,11-13H2,(H,18,19).
What are the key properties of N-[(1-benzylcyclobutyl)methyl]-1-(1H-imidazol-2-yl)methanamine?
N-[(1-benzylcyclobutyl)methyl]-1-(1H-imidazol-2-yl)methanamine has a molecular weight of 255.37 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylcyclobutyl)methyl]-1-(1H-imidazol-2-yl)methanamine is sourced from PubChem (CID 71971289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).