N-[[3-(cyclobutylmethyl)imidazol-4-yl]methyl]cyclopropanamine

C12H19N3 — CID 66148807

IUPACN-[[3-(cyclobutylmethyl)imidazol-4-yl]methyl]cyclopropanamine
SMILESc1ncn(CC2CCC2)c1CNC1CC1
InChIInChI=1S/C12H19N3/c1-2-10(3-1)8-15-9-13-6-12(15)7-14-11-4-5-11/h6,9-11,14H,1-5,7-8H2
InChIKeyBXLUHDCUNJFPSA-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.94
Rot. Bonds5

About N-[[3-(cyclobutylmethyl)imidazol-4-yl]methyl]cyclopropanamine

N-[[3-(cyclobutylmethyl)imidazol-4-yl]methyl]cyclopropanamine (PubChem CID 66148807) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is N-[[3-(cyclobutylmethyl)imidazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(cyclobutylmethyl)imidazol-4-yl]methyl]cyclopropanamine
PubChem CID66148807
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC NameN-[[3-(cyclobutylmethyl)imidazol-4-yl]methyl]cyclopropanamine
SMILESc1ncn(CC2CCC2)c1CNC1CC1
InChIInChI=1S/C12H19N3/c1-2-10(3-1)8-15-9-13-6-12(15)7-14-11-4-5-11/h6,9-11,14H,1-5,7-8H2
InChIKeyBXLUHDCUNJFPSA-UHFFFAOYSA-N
XLogP1.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclobutylmethyl)imidazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(cyclobutylmethyl)imidazol-4-yl]methyl]cyclopropanamine (CID 66148807) is N-[[3-(cyclobutylmethyl)imidazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(cyclobutylmethyl)imidazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(cyclobutylmethyl)imidazol-4-yl]methyl]cyclopropanamine is c1ncn(CC2CCC2)c1CNC1CC1.
What is the InChIKey of N-[[3-(cyclobutylmethyl)imidazol-4-yl]methyl]cyclopropanamine?
The InChIKey is BXLUHDCUNJFPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-2-10(3-1)8-15-9-13-6-12(15)7-14-11-4-5-11/h6,9-11,14H,1-5,7-8H2.
What are the key properties of N-[[3-(cyclobutylmethyl)imidazol-4-yl]methyl]cyclopropanamine?
N-[[3-(cyclobutylmethyl)imidazol-4-yl]methyl]cyclopropanamine has a molecular weight of 205.30 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclobutylmethyl)imidazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66148807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).