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

C14H19N3 — CID 63225623

IUPAC3-N-methyl-3-N-quinolin-2-ylbutane-1,3-diamine
SMILESCC(CCN)N(C)c1ccc2ccccc2n1
InChIInChI=1S/C14H19N3/c1-11(9-10-15)17(2)14-8-7-12-5-3-4-6-13(12)16-14/h3-8,11H,9-10,15H2,1-2H3
InChIKeyVRHAKNOJVQMAMW-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.41
Rot. Bonds4

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

3-N-methyl-3-N-quinolin-2-ylbutane-1,3-diamine (PubChem CID 63225623) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 3-N-methyl-3-N-quinolin-2-ylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-quinolin-2-ylbutane-1,3-diamine
PubChem CID63225623
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name3-N-methyl-3-N-quinolin-2-ylbutane-1,3-diamine
SMILESCC(CCN)N(C)c1ccc2ccccc2n1
InChIInChI=1S/C14H19N3/c1-11(9-10-15)17(2)14-8-7-12-5-3-4-6-13(12)16-14/h3-8,11H,9-10,15H2,1-2H3
InChIKeyVRHAKNOJVQMAMW-UHFFFAOYSA-N
XLogP2.41
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-quinolin-2-ylbutane-1,3-diamine?
The IUPAC name of 3-N-methyl-3-N-quinolin-2-ylbutane-1,3-diamine (CID 63225623) is 3-N-methyl-3-N-quinolin-2-ylbutane-1,3-diamine.
What is the SMILES notation for 3-N-methyl-3-N-quinolin-2-ylbutane-1,3-diamine?
The canonical SMILES for 3-N-methyl-3-N-quinolin-2-ylbutane-1,3-diamine is CC(CCN)N(C)c1ccc2ccccc2n1.
What is the InChIKey of 3-N-methyl-3-N-quinolin-2-ylbutane-1,3-diamine?
The InChIKey is VRHAKNOJVQMAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11(9-10-15)17(2)14-8-7-12-5-3-4-6-13(12)16-14/h3-8,11H,9-10,15H2,1-2H3.
What are the key properties of 3-N-methyl-3-N-quinolin-2-ylbutane-1,3-diamine?
3-N-methyl-3-N-quinolin-2-ylbutane-1,3-diamine has a molecular weight of 229.33 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-quinolin-2-ylbutane-1,3-diamine is sourced from PubChem (CID 63225623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).