3-(2-pentan-3-yl-1H-imidazol-5-yl)propan-1-amine

C11H21N3 — CID 82463512

IUPAC3-(2-pentan-3-yl-1H-imidazol-5-yl)propan-1-amine
SMILESCCC(CC)c1ncc(CCCN)[nH]1
InChIInChI=1S/C11H21N3/c1-3-9(4-2)11-13-8-10(14-11)6-5-7-12/h8-9H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyDLPGCSAWQDLMLX-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.20
Rot. Bonds6

About 3-(2-pentan-3-yl-1H-imidazol-5-yl)propan-1-amine

3-(2-pentan-3-yl-1H-imidazol-5-yl)propan-1-amine (PubChem CID 82463512) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-(2-pentan-3-yl-1H-imidazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2-pentan-3-yl-1H-imidazol-5-yl)propan-1-amine
PubChem CID82463512
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name3-(2-pentan-3-yl-1H-imidazol-5-yl)propan-1-amine
SMILESCCC(CC)c1ncc(CCCN)[nH]1
InChIInChI=1S/C11H21N3/c1-3-9(4-2)11-13-8-10(14-11)6-5-7-12/h8-9H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyDLPGCSAWQDLMLX-UHFFFAOYSA-N
XLogP2.20
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-pentan-3-yl-1H-imidazol-5-yl)propan-1-amine?
The IUPAC name of 3-(2-pentan-3-yl-1H-imidazol-5-yl)propan-1-amine (CID 82463512) is 3-(2-pentan-3-yl-1H-imidazol-5-yl)propan-1-amine.
What is the SMILES notation for 3-(2-pentan-3-yl-1H-imidazol-5-yl)propan-1-amine?
The canonical SMILES for 3-(2-pentan-3-yl-1H-imidazol-5-yl)propan-1-amine is CCC(CC)c1ncc(CCCN)[nH]1.
What is the InChIKey of 3-(2-pentan-3-yl-1H-imidazol-5-yl)propan-1-amine?
The InChIKey is DLPGCSAWQDLMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-3-9(4-2)11-13-8-10(14-11)6-5-7-12/h8-9H,3-7,12H2,1-2H3,(H,13,14).
What are the key properties of 3-(2-pentan-3-yl-1H-imidazol-5-yl)propan-1-amine?
3-(2-pentan-3-yl-1H-imidazol-5-yl)propan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pentan-3-yl-1H-imidazol-5-yl)propan-1-amine is sourced from PubChem (CID 82463512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).