2-(3-pyridin-3-ylbutan-2-yl)propane-1,3-diamine

C12H21N3 — CID 83929792

IUPAC2-(3-pyridin-3-ylbutan-2-yl)propane-1,3-diamine
SMILESCC(c1cccnc1)C(C)C(CN)CN
InChIInChI=1S/C12H21N3/c1-9(10(2)12(6-13)7-14)11-4-3-5-15-8-11/h3-5,8-10,12H,6-7,13-14H2,1-2H3
InChIKeyJDLFVVBXMJOMOX-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.35
Rot. Bonds5

About 2-(3-pyridin-3-ylbutan-2-yl)propane-1,3-diamine

2-(3-pyridin-3-ylbutan-2-yl)propane-1,3-diamine (PubChem CID 83929792) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(3-pyridin-3-ylbutan-2-yl)propane-1,3-diamine.

Molecular Properties

Compound Name2-(3-pyridin-3-ylbutan-2-yl)propane-1,3-diamine
PubChem CID83929792
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-(3-pyridin-3-ylbutan-2-yl)propane-1,3-diamine
SMILESCC(c1cccnc1)C(C)C(CN)CN
InChIInChI=1S/C12H21N3/c1-9(10(2)12(6-13)7-14)11-4-3-5-15-8-11/h3-5,8-10,12H,6-7,13-14H2,1-2H3
InChIKeyJDLFVVBXMJOMOX-UHFFFAOYSA-N
XLogP1.35
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-pyridin-3-ylbutan-2-yl)propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-pyridin-3-ylpropane-1,3-diamine
CID 116933165
1-amino-4,5-dimethyl-2-pyridin-3-ylhexan-3-ol
CID 80523424
(2R)-3-pyridin-3-ylbutan-2-ol
CID 57231816
3-(4-bromo-3-methylbutan-2-yl)pyridine
CID 83929749
3-methyl-1-pyridin-3-ylbutane-1,4-diamine
CID 116934246
(1R)-1-pyridin-3-ylethanamine;hydrochloride
CID 53487230
N-ethyl-N-(2-methylpropyl)-1-pyridin-3-ylethane-1,2-diamine
CID 43273458
N-(2-methylpropyl)-1-pyridin-3-ylethane-1,2-diamine
CID 65383709
1-amino-2-pyridin-3-ylpentan-3-ol
CID 80523388
2-amino-3-pyridin-3-ylbutanoic acid
CID 83906430
1-pyridin-3-ylpropane-1,3-diamine
CID 116932848
(1S)-2-methyl-1-pyridin-3-ylbutan-1-amine
CID 130856661

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyridin-3-ylbutan-2-yl)propane-1,3-diamine?
The IUPAC name of 2-(3-pyridin-3-ylbutan-2-yl)propane-1,3-diamine (CID 83929792) is 2-(3-pyridin-3-ylbutan-2-yl)propane-1,3-diamine.
What is the SMILES notation for 2-(3-pyridin-3-ylbutan-2-yl)propane-1,3-diamine?
The canonical SMILES for 2-(3-pyridin-3-ylbutan-2-yl)propane-1,3-diamine is CC(c1cccnc1)C(C)C(CN)CN.
What is the InChIKey of 2-(3-pyridin-3-ylbutan-2-yl)propane-1,3-diamine?
The InChIKey is JDLFVVBXMJOMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9(10(2)12(6-13)7-14)11-4-3-5-15-8-11/h3-5,8-10,12H,6-7,13-14H2,1-2H3.
What are the key properties of 2-(3-pyridin-3-ylbutan-2-yl)propane-1,3-diamine?
2-(3-pyridin-3-ylbutan-2-yl)propane-1,3-diamine has a molecular weight of 207.32 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyridin-3-ylbutan-2-yl)propane-1,3-diamine is sourced from PubChem (CID 83929792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).