3-(2-methylimidazol-1-yl)propan-1-amine;quinoline

C16H20N4 — CID 174881981

IUPAC3-(2-methylimidazol-1-yl)propan-1-amine;quinoline
SMILESCc1nccn1CCCN.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C7H13N3/c1-2-6-9-8(4-1)5-3-7-10-9;1-7-9-4-6-10(7)5-2-3-8/h1-7H;4,6H,2-3,5,8H2,1H3
InChIKeyDUSMISIISNEFFY-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.78
Rot. Bonds3

About 3-(2-methylimidazol-1-yl)propan-1-amine;quinoline

3-(2-methylimidazol-1-yl)propan-1-amine;quinoline (PubChem CID 174881981) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-(2-methylimidazol-1-yl)propan-1-amine;quinoline.

Molecular Properties

Compound Name3-(2-methylimidazol-1-yl)propan-1-amine;quinoline
PubChem CID174881981
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name3-(2-methylimidazol-1-yl)propan-1-amine;quinoline
SMILESCc1nccn1CCCN.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C7H13N3/c1-2-6-9-8(4-1)5-3-7-10-9;1-7-9-4-6-10(7)5-2-3-8/h1-7H;4,6H,2-3,5,8H2,1H3
InChIKeyDUSMISIISNEFFY-UHFFFAOYSA-N
XLogP2.78
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylimidazol-1-yl)propan-1-amine;quinoline?
The IUPAC name of 3-(2-methylimidazol-1-yl)propan-1-amine;quinoline (CID 174881981) is 3-(2-methylimidazol-1-yl)propan-1-amine;quinoline.
What is the SMILES notation for 3-(2-methylimidazol-1-yl)propan-1-amine;quinoline?
The canonical SMILES for 3-(2-methylimidazol-1-yl)propan-1-amine;quinoline is Cc1nccn1CCCN.c1ccc2ncccc2c1.
What is the InChIKey of 3-(2-methylimidazol-1-yl)propan-1-amine;quinoline?
The InChIKey is DUSMISIISNEFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C7H13N3/c1-2-6-9-8(4-1)5-3-7-10-9;1-7-9-4-6-10(7)5-2-3-8/h1-7H;4,6H,2-3,5,8H2,1H3.
What are the key properties of 3-(2-methylimidazol-1-yl)propan-1-amine;quinoline?
3-(2-methylimidazol-1-yl)propan-1-amine;quinoline has a molecular weight of 268.36 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylimidazol-1-yl)propan-1-amine;quinoline is sourced from PubChem (CID 174881981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).