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

C12H21N3 — CID 71920250

IUPAC1-(1H-imidazol-2-yl)-N-[(1-propylcyclobutyl)methyl]methanamine
SMILESCCCC1(CNCc2ncc[nH]2)CCC1
InChIInChI=1S/C12H21N3/c1-2-4-12(5-3-6-12)10-13-9-11-14-7-8-15-11/h7-8,13H,2-6,9-10H2,1H3,(H,14,15)
InChIKeyRDAYNXHBQRMWOG-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.47
Rot. Bonds6

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

1-(1H-imidazol-2-yl)-N-[(1-propylcyclobutyl)methyl]methanamine (PubChem CID 71920250) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)-N-[(1-propylcyclobutyl)methyl]methanamine.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)-N-[(1-propylcyclobutyl)methyl]methanamine
PubChem CID71920250
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-(1H-imidazol-2-yl)-N-[(1-propylcyclobutyl)methyl]methanamine
SMILESCCCC1(CNCc2ncc[nH]2)CCC1
InChIInChI=1S/C12H21N3/c1-2-4-12(5-3-6-12)10-13-9-11-14-7-8-15-11/h7-8,13H,2-6,9-10H2,1H3,(H,14,15)
InChIKeyRDAYNXHBQRMWOG-UHFFFAOYSA-N
XLogP2.47
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)-N-[(1-propylcyclobutyl)methyl]methanamine?
The IUPAC name of 1-(1H-imidazol-2-yl)-N-[(1-propylcyclobutyl)methyl]methanamine (CID 71920250) is 1-(1H-imidazol-2-yl)-N-[(1-propylcyclobutyl)methyl]methanamine.
What is the SMILES notation for 1-(1H-imidazol-2-yl)-N-[(1-propylcyclobutyl)methyl]methanamine?
The canonical SMILES for 1-(1H-imidazol-2-yl)-N-[(1-propylcyclobutyl)methyl]methanamine is CCCC1(CNCc2ncc[nH]2)CCC1.
What is the InChIKey of 1-(1H-imidazol-2-yl)-N-[(1-propylcyclobutyl)methyl]methanamine?
The InChIKey is RDAYNXHBQRMWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-2-4-12(5-3-6-12)10-13-9-11-14-7-8-15-11/h7-8,13H,2-6,9-10H2,1H3,(H,14,15).
What are the key properties of 1-(1H-imidazol-2-yl)-N-[(1-propylcyclobutyl)methyl]methanamine?
1-(1H-imidazol-2-yl)-N-[(1-propylcyclobutyl)methyl]methanamine has a molecular weight of 207.32 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)-N-[(1-propylcyclobutyl)methyl]methanamine is sourced from PubChem (CID 71920250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).