3-(1,3-dimethyl-2H-imidazol-4-yl)propan-1-amine

C8H17N3 — CID 66716913

IUPAC3-(1,3-dimethyl-2H-imidazol-4-yl)propan-1-amine
SMILESCN1C=C(CCCN)N(C)C1
InChIInChI=1S/C8H17N3/c1-10-6-8(4-3-5-9)11(2)7-10/h6H,3-5,7,9H2,1-2H3
InChIKeyHFTYRKHQJOJELT-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.40
Rot. Bonds3

About 3-(1,3-dimethyl-2H-imidazol-4-yl)propan-1-amine

3-(1,3-dimethyl-2H-imidazol-4-yl)propan-1-amine (PubChem CID 66716913) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-(1,3-dimethyl-2H-imidazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1,3-dimethyl-2H-imidazol-4-yl)propan-1-amine
PubChem CID66716913
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Name3-(1,3-dimethyl-2H-imidazol-4-yl)propan-1-amine
SMILESCN1C=C(CCCN)N(C)C1
InChIInChI=1S/C8H17N3/c1-10-6-8(4-3-5-9)11(2)7-10/h6H,3-5,7,9H2,1-2H3
InChIKeyHFTYRKHQJOJELT-UHFFFAOYSA-N
XLogP0.40
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethyl-2H-imidazol-4-yl)propan-1-amine?
The IUPAC name of 3-(1,3-dimethyl-2H-imidazol-4-yl)propan-1-amine (CID 66716913) is 3-(1,3-dimethyl-2H-imidazol-4-yl)propan-1-amine.
What is the SMILES notation for 3-(1,3-dimethyl-2H-imidazol-4-yl)propan-1-amine?
The canonical SMILES for 3-(1,3-dimethyl-2H-imidazol-4-yl)propan-1-amine is CN1C=C(CCCN)N(C)C1.
What is the InChIKey of 3-(1,3-dimethyl-2H-imidazol-4-yl)propan-1-amine?
The InChIKey is HFTYRKHQJOJELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-10-6-8(4-3-5-9)11(2)7-10/h6H,3-5,7,9H2,1-2H3.
What are the key properties of 3-(1,3-dimethyl-2H-imidazol-4-yl)propan-1-amine?
3-(1,3-dimethyl-2H-imidazol-4-yl)propan-1-amine has a molecular weight of 155.24 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethyl-2H-imidazol-4-yl)propan-1-amine is sourced from PubChem (CID 66716913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).