1-N-quinolin-2-ylbutane-1,3-diamine

C13H17N3 — CID 63251635

IUPAC1-N-quinolin-2-ylbutane-1,3-diamine
SMILESCC(N)CCNc1ccc2ccccc2n1
InChIInChI=1S/C13H17N3/c1-10(14)8-9-15-13-7-6-11-4-2-3-5-12(11)16-13/h2-7,10H,8-9,14H2,1H3,(H,15,16)
InChIKeyOEBBZUCIZDZBJR-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.38
Rot. Bonds4

About 1-N-quinolin-2-ylbutane-1,3-diamine

1-N-quinolin-2-ylbutane-1,3-diamine (PubChem CID 63251635) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-N-quinolin-2-ylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-quinolin-2-ylbutane-1,3-diamine
PubChem CID63251635
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name1-N-quinolin-2-ylbutane-1,3-diamine
SMILESCC(N)CCNc1ccc2ccccc2n1
InChIInChI=1S/C13H17N3/c1-10(14)8-9-15-13-7-6-11-4-2-3-5-12(11)16-13/h2-7,10H,8-9,14H2,1H3,(H,15,16)
InChIKeyOEBBZUCIZDZBJR-UHFFFAOYSA-N
XLogP2.38
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-quinolin-2-ylbutane-1,3-diamine?
The IUPAC name of 1-N-quinolin-2-ylbutane-1,3-diamine (CID 63251635) is 1-N-quinolin-2-ylbutane-1,3-diamine.
What is the SMILES notation for 1-N-quinolin-2-ylbutane-1,3-diamine?
The canonical SMILES for 1-N-quinolin-2-ylbutane-1,3-diamine is CC(N)CCNc1ccc2ccccc2n1.
What is the InChIKey of 1-N-quinolin-2-ylbutane-1,3-diamine?
The InChIKey is OEBBZUCIZDZBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10(14)8-9-15-13-7-6-11-4-2-3-5-12(11)16-13/h2-7,10H,8-9,14H2,1H3,(H,15,16).
What are the key properties of 1-N-quinolin-2-ylbutane-1,3-diamine?
1-N-quinolin-2-ylbutane-1,3-diamine has a molecular weight of 215.30 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-quinolin-2-ylbutane-1,3-diamine is sourced from PubChem (CID 63251635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).