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

C11H17N3 — CID 64986067

IUPACN-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]cyclopropanamine
SMILESc1nc(C2CCC2)[nH]c1CNC1CC1
InChIInChI=1S/C11H17N3/c1-2-8(3-1)11-13-7-10(14-11)6-12-9-4-5-9/h7-9,12H,1-6H2,(H,13,14)
InChIKeyXHTOBWHVMFSLQU-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.93
Rot. Bonds4

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

N-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]cyclopropanamine (PubChem CID 64986067) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is N-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]cyclopropanamine
PubChem CID64986067
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC NameN-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]cyclopropanamine
SMILESc1nc(C2CCC2)[nH]c1CNC1CC1
InChIInChI=1S/C11H17N3/c1-2-8(3-1)11-13-7-10(14-11)6-12-9-4-5-9/h7-9,12H,1-6H2,(H,13,14)
InChIKeyXHTOBWHVMFSLQU-UHFFFAOYSA-N
XLogP1.93
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]cyclopropanamine (CID 64986067) is N-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]cyclopropanamine is c1nc(C2CCC2)[nH]c1CNC1CC1.
What is the InChIKey of N-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]cyclopropanamine?
The InChIKey is XHTOBWHVMFSLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-2-8(3-1)11-13-7-10(14-11)6-12-9-4-5-9/h7-9,12H,1-6H2,(H,13,14).
What are the key properties of N-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]cyclopropanamine?
N-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]cyclopropanamine has a molecular weight of 191.28 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]cyclopropanamine is sourced from PubChem (CID 64986067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).