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

C9H15N3 — CID 87362021

IUPAC2-pyridin-2-ylbutane-2,3-diamine
SMILESCC(N)C(C)(N)c1ccccn1
InChIInChI=1S/C9H15N3/c1-7(10)9(2,11)8-5-3-4-6-12-8/h3-7H,10-11H2,1-2H3
InChIKeySBPCSDVTCKNSMN-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.60
Rot. Bonds2

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

2-pyridin-2-ylbutane-2,3-diamine (PubChem CID 87362021) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-pyridin-2-ylbutane-2,3-diamine.

Molecular Properties

Compound Name2-pyridin-2-ylbutane-2,3-diamine
PubChem CID87362021
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name2-pyridin-2-ylbutane-2,3-diamine
SMILESCC(N)C(C)(N)c1ccccn1
InChIInChI=1S/C9H15N3/c1-7(10)9(2,11)8-5-3-4-6-12-8/h3-7H,10-11H2,1-2H3
InChIKeySBPCSDVTCKNSMN-UHFFFAOYSA-N
XLogP0.60
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-methyl-2-pyridin-2-ylbutan-2-ol
CID 162467836
fluoro(pyridin-2-yl)methanediamine
CID 67406744
CID 162723245
CID 162723245
2-tert-butylpyridine;ethane;methane
CID 143332153
difluoro(pyridin-2-yl)methanamine
CID 83854913
2-(1,1-difluoro-2-methylpropyl)pyridine
CID 116841481
2-amino-2-pyridin-2-ylpropanoic acid
CID 4241373
ethane;2-methyl-1,1-dipyridin-2-ylpropan-1-ol
CID 142343342
5-methyl-5-pyridin-2-ylhexane-1,4-diamine
CID 90694165
2-hydroxy-3-methyl-2-pyridin-2-ylbutanoic acid
CID 83698678
3,6-bis(2-pyridin-2-ylpropan-2-yl)pyridazine
CID 143616932
2-(butan-2-ylamino)-2-pyridin-2-ylpropan-1-ol
CID 61049210

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylbutane-2,3-diamine?
The IUPAC name of 2-pyridin-2-ylbutane-2,3-diamine (CID 87362021) is 2-pyridin-2-ylbutane-2,3-diamine.
What is the SMILES notation for 2-pyridin-2-ylbutane-2,3-diamine?
The canonical SMILES for 2-pyridin-2-ylbutane-2,3-diamine is CC(N)C(C)(N)c1ccccn1.
What is the InChIKey of 2-pyridin-2-ylbutane-2,3-diamine?
The InChIKey is SBPCSDVTCKNSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-7(10)9(2,11)8-5-3-4-6-12-8/h3-7H,10-11H2,1-2H3.
What are the key properties of 2-pyridin-2-ylbutane-2,3-diamine?
2-pyridin-2-ylbutane-2,3-diamine has a molecular weight of 165.24 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylbutane-2,3-diamine is sourced from PubChem (CID 87362021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).