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

C11H19N3 — CID 64986065

IUPACN-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cnc(C2CCC2)[nH]1
InChIInChI=1S/C11H19N3/c1-8(2)12-6-10-7-13-11(14-10)9-4-3-5-9/h7-9,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyAXHPEEKJUVEDCR-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.18
Rot. Bonds4

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

N-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]propan-2-amine (PubChem CID 64986065) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]propan-2-amine
PubChem CID64986065
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cnc(C2CCC2)[nH]1
InChIInChI=1S/C11H19N3/c1-8(2)12-6-10-7-13-11(14-10)9-4-3-5-9/h7-9,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyAXHPEEKJUVEDCR-UHFFFAOYSA-N
XLogP2.18
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.18
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]propan-2-amine?
The IUPAC name of N-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]propan-2-amine (CID 64986065) is N-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]propan-2-amine is CC(C)NCc1cnc(C2CCC2)[nH]1.
What is the InChIKey of N-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]propan-2-amine?
The InChIKey is AXHPEEKJUVEDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-8(2)12-6-10-7-13-11(14-10)9-4-3-5-9/h7-9,12H,3-6H2,1-2H3,(H,13,14).
What are the key properties of N-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]propan-2-amine?
N-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]propan-2-amine has a molecular weight of 193.29 g/mol, XLogP of 2.18, 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]propan-2-amine is sourced from PubChem (CID 64986065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).