3-pyridin-2-ylbutane-1,2-diamine

C9H15N3 — CID 67591241

IUPAC3-pyridin-2-ylbutane-1,2-diamine
SMILESCC(c1ccccn1)C(N)CN
InChIInChI=1S/C9H15N3/c1-7(8(11)6-10)9-4-2-3-5-12-9/h2-5,7-8H,6,10-11H2,1H3
InChIKeyDWDAAHJGRRFTOI-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.47
Rot. Bonds3

About 3-pyridin-2-ylbutane-1,2-diamine

3-pyridin-2-ylbutane-1,2-diamine (PubChem CID 67591241) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-pyridin-2-ylbutane-1,2-diamine.

Molecular Properties

Compound Name3-pyridin-2-ylbutane-1,2-diamine
PubChem CID67591241
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name3-pyridin-2-ylbutane-1,2-diamine
SMILESCC(c1ccccn1)C(N)CN
InChIInChI=1S/C9H15N3/c1-7(8(11)6-10)9-4-2-3-5-12-9/h2-5,7-8H,6,10-11H2,1H3
InChIKeyDWDAAHJGRRFTOI-UHFFFAOYSA-N
XLogP0.47
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-dimethyl-2-pyridin-2-ylhexan-3-amine
CID 66448754
(3R)-3-pyridin-2-ylbutan-2-amine
CID 140704268
2-pyridin-2-ylpropan-1-amine
CID 21481533
1-methylsulfonyl-3-pyridin-2-ylbutan-2-amine
CID 66448366
2-pyridin-2-ylnonan-3-amine
CID 114753071
2-[(2R)-3-methylbutan-2-yl]pyridine
CID 26793118
(2R)-3-methyl-2-pyridin-2-ylbutan-1-amine
CID 96736561
1-cyclohexyl-3-pyridin-2-ylbutan-2-amine
CID 66448950
(1R,2S)-1-pyridin-2-ylpropane-1,2-diamine
CID 131142947
N-methylmethanamine;1-pyridin-2-ylethanamine
CID 143812006
(1R)-2-methyl-1-pyridin-2-ylpropan-1-amine;dihydrochloride
CID 86767543
(2S)-1-pyridin-2-ylpropan-2-amine
CID 42037572

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-ylbutane-1,2-diamine?
The IUPAC name of 3-pyridin-2-ylbutane-1,2-diamine (CID 67591241) is 3-pyridin-2-ylbutane-1,2-diamine.
What is the SMILES notation for 3-pyridin-2-ylbutane-1,2-diamine?
The canonical SMILES for 3-pyridin-2-ylbutane-1,2-diamine is CC(c1ccccn1)C(N)CN.
What is the InChIKey of 3-pyridin-2-ylbutane-1,2-diamine?
The InChIKey is DWDAAHJGRRFTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-7(8(11)6-10)9-4-2-3-5-12-9/h2-5,7-8H,6,10-11H2,1H3.
What are the key properties of 3-pyridin-2-ylbutane-1,2-diamine?
3-pyridin-2-ylbutane-1,2-diamine has a molecular weight of 165.24 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-ylbutane-1,2-diamine is sourced from PubChem (CID 67591241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).