1-pyridin-4-ylbutane-2,3-diamine

C9H15N3 — CID 91386861

IUPAC1-pyridin-4-ylbutane-2,3-diamine
SMILESCC(N)C(N)Cc1ccncc1
InChIInChI=1S/C9H15N3/c1-7(10)9(11)6-8-2-4-12-5-3-8/h2-5,7,9H,6,10-11H2,1H3
InChIKeyUVIDIXWWXAXYRR-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.30
Rot. Bonds3

About 1-pyridin-4-ylbutane-2,3-diamine

1-pyridin-4-ylbutane-2,3-diamine (PubChem CID 91386861) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-pyridin-4-ylbutane-2,3-diamine.

Molecular Properties

Compound Name1-pyridin-4-ylbutane-2,3-diamine
PubChem CID91386861
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name1-pyridin-4-ylbutane-2,3-diamine
SMILESCC(N)C(N)Cc1ccncc1
InChIInChI=1S/C9H15N3/c1-7(10)9(11)6-8-2-4-12-5-3-8/h2-5,7,9H,6,10-11H2,1H3
InChIKeyUVIDIXWWXAXYRR-UHFFFAOYSA-N
XLogP0.30
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 ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-propyl-1-pyridin-4-ylhexan-2-amine
CID 82987506
3-phenyl-1-pyridin-4-ylbutan-2-amine
CID 114029119
(2S)-2-methyl-3-pyridin-4-ylpropan-1-amine
CID 42079600
(2S)-1-pyridin-4-ylpropan-2-ol
CID 94470889
(3-methyl-1-pyridin-4-ylbutan-2-yl)hydrazine
CID 105199657
1-(4-methylphenyl)-2-pyridin-4-ylethanamine
CID 62550879
(2S)-2-amino-3-pyridin-4-ylpropanal
CID 22827621
4-pyridin-4-ylbutan-2-amine;hydrobromide
CID 122657673
4-(2-methylbut-3-ynyl)pyridine
CID 83929898
3-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-4-ylbutanoic acid
CID 53444959
4-methylsulfanyl-1-pyridin-4-ylbutan-2-amine
CID 105160708
S-methyl (2S)-2-amino-3-pyridin-4-ylpropanethioate
CID 167273372

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-ylbutane-2,3-diamine?
The IUPAC name of 1-pyridin-4-ylbutane-2,3-diamine (CID 91386861) is 1-pyridin-4-ylbutane-2,3-diamine.
What is the SMILES notation for 1-pyridin-4-ylbutane-2,3-diamine?
The canonical SMILES for 1-pyridin-4-ylbutane-2,3-diamine is CC(N)C(N)Cc1ccncc1.
What is the InChIKey of 1-pyridin-4-ylbutane-2,3-diamine?
The InChIKey is UVIDIXWWXAXYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-7(10)9(11)6-8-2-4-12-5-3-8/h2-5,7,9H,6,10-11H2,1H3.
What are the key properties of 1-pyridin-4-ylbutane-2,3-diamine?
1-pyridin-4-ylbutane-2,3-diamine has a molecular weight of 165.24 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-ylbutane-2,3-diamine is sourced from PubChem (CID 91386861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).