4-pyridin-3-yl-3-(pyridin-3-ylmethyl)butane-1,3-diamine

C15H20N4 — CID 174709690

IUPAC4-pyridin-3-yl-3-(pyridin-3-ylmethyl)butane-1,3-diamine
SMILESNCCC(N)(Cc1cccnc1)Cc1cccnc1
InChIInChI=1S/C15H20N4/c16-6-5-15(17,9-13-3-1-7-18-11-13)10-14-4-2-8-19-12-14/h1-4,7-8,11-12H,5-6,9-10,16-17H2
InChIKeyJBYYDWNENOUZQR-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.31
Rot. Bonds6

About 4-pyridin-3-yl-3-(pyridin-3-ylmethyl)butane-1,3-diamine

4-pyridin-3-yl-3-(pyridin-3-ylmethyl)butane-1,3-diamine (PubChem CID 174709690) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-pyridin-3-yl-3-(pyridin-3-ylmethyl)butane-1,3-diamine.

Molecular Properties

Compound Name4-pyridin-3-yl-3-(pyridin-3-ylmethyl)butane-1,3-diamine
PubChem CID174709690
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name4-pyridin-3-yl-3-(pyridin-3-ylmethyl)butane-1,3-diamine
SMILESNCCC(N)(Cc1cccnc1)Cc1cccnc1
InChIInChI=1S/C15H20N4/c16-6-5-15(17,9-13-3-1-7-18-11-13)10-14-4-2-8-19-12-14/h1-4,7-8,11-12H,5-6,9-10,16-17H2
InChIKeyJBYYDWNENOUZQR-UHFFFAOYSA-N
XLogP1.31
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-pyridin-3-ylpropan-2-amine;dihydrochloride
CID 131637820
3-(2,2-dimethylpropyl)pyridine;methane
CID 160666805
2-fluoro-2-(pyridin-3-ylmethyl)pentan-1-amine
CID 104737462
1-amino-3,3-dimethyl-2-(pyridin-3-ylmethyl)butan-2-ol
CID 104735827
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
2-fluoro-3-methyl-2-(pyridin-3-ylmethyl)butan-1-amine
CID 104737459
2-methyl-1-(pyridin-3-ylmethylsulfanyl)propan-2-amine
CID 66230417
1-amino-3-pyridin-3-ylpropan-2-ol
CID 56924494
1,1,2-tripyridin-3-ylethanol
CID 57425683
3,3-dimethyl-N-propan-2-yl-4-pyridin-3-ylbutan-1-amine
CID 104737370
2-(2,5-dichlorophenyl)-2-methyl-3-pyridin-3-ylpropan-1-amine
CID 117048430
2-methyl-2-N-(2-pyridin-3-ylethyl)propane-1,2-diamine
CID 115132207

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yl-3-(pyridin-3-ylmethyl)butane-1,3-diamine?
The IUPAC name of 4-pyridin-3-yl-3-(pyridin-3-ylmethyl)butane-1,3-diamine (CID 174709690) is 4-pyridin-3-yl-3-(pyridin-3-ylmethyl)butane-1,3-diamine.
What is the SMILES notation for 4-pyridin-3-yl-3-(pyridin-3-ylmethyl)butane-1,3-diamine?
The canonical SMILES for 4-pyridin-3-yl-3-(pyridin-3-ylmethyl)butane-1,3-diamine is NCCC(N)(Cc1cccnc1)Cc1cccnc1.
What is the InChIKey of 4-pyridin-3-yl-3-(pyridin-3-ylmethyl)butane-1,3-diamine?
The InChIKey is JBYYDWNENOUZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c16-6-5-15(17,9-13-3-1-7-18-11-13)10-14-4-2-8-19-12-14/h1-4,7-8,11-12H,5-6,9-10,16-17H2.
What are the key properties of 4-pyridin-3-yl-3-(pyridin-3-ylmethyl)butane-1,3-diamine?
4-pyridin-3-yl-3-(pyridin-3-ylmethyl)butane-1,3-diamine has a molecular weight of 256.35 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yl-3-(pyridin-3-ylmethyl)butane-1,3-diamine is sourced from PubChem (CID 174709690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).