3-methyl-1-N-(2-pyridin-2-ylethyl)butane-1,3-diamine

C12H21N3 — CID 115200835

IUPAC3-methyl-1-N-(2-pyridin-2-ylethyl)butane-1,3-diamine
SMILESCC(C)(N)CCNCCc1ccccn1
InChIInChI=1S/C12H21N3/c1-12(2,13)7-10-14-9-6-11-5-3-4-8-15-11/h3-5,8,14H,6-7,9-10,13H2,1-2H3
InChIKeyPBJPXACIAKFDEU-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.34
Rot. Bonds6

About 3-methyl-1-N-(2-pyridin-2-ylethyl)butane-1,3-diamine

3-methyl-1-N-(2-pyridin-2-ylethyl)butane-1,3-diamine (PubChem CID 115200835) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-methyl-1-N-(2-pyridin-2-ylethyl)butane-1,3-diamine.

Molecular Properties

Compound Name3-methyl-1-N-(2-pyridin-2-ylethyl)butane-1,3-diamine
PubChem CID115200835
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name3-methyl-1-N-(2-pyridin-2-ylethyl)butane-1,3-diamine
SMILESCC(C)(N)CCNCCc1ccccn1
InChIInChI=1S/C12H21N3/c1-12(2,13)7-10-14-9-6-11-5-3-4-8-15-11/h3-5,8,14H,6-7,9-10,13H2,1-2H3
InChIKeyPBJPXACIAKFDEU-UHFFFAOYSA-N
XLogP1.34
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-methyl-1-N-(2-pyridin-2-ylethyl)butane-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-pyridin-2-yl-N-[2-[2-(2-pyridin-2-ylethylamino)ethyldisulfanyl]ethyl]ethanamine
CID 101109360
1-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
CID 115196859
N'-[2-(2-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;tetrahydrochloride
CID 11530463
N-(2-tert-butylsulfonylethyl)-2-pyridin-2-ylethanamine
CID 113245480
3,3-dimethyl-4-(2-pyridin-2-ylethylamino)butan-1-ol
CID 106146853
2-[3-(2-pyridin-2-ylethylamino)propoxy]propan-2-ol
CID 134462825
N-methyl-2-pyridin-2-ylethanamine dichloride
CID 45114105
2-methylsulfanyl-N-(2-pyridin-2-ylethyl)aniline
CID 107644767
2-amino-2-methyl-N-(2-pyridin-2-ylethyl)pentanamide
CID 60846982
2-methyl-3-(2-pyridin-2-ylethylamino)propan-1-ol
CID 65036147
N',N'-di(propan-2-yl)-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 60648012
N-methyl-2-pyridin-2-ylethanamine;hydroiodide
CID 135260552

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-N-(2-pyridin-2-ylethyl)butane-1,3-diamine?
The IUPAC name of 3-methyl-1-N-(2-pyridin-2-ylethyl)butane-1,3-diamine (CID 115200835) is 3-methyl-1-N-(2-pyridin-2-ylethyl)butane-1,3-diamine.
What is the SMILES notation for 3-methyl-1-N-(2-pyridin-2-ylethyl)butane-1,3-diamine?
The canonical SMILES for 3-methyl-1-N-(2-pyridin-2-ylethyl)butane-1,3-diamine is CC(C)(N)CCNCCc1ccccn1.
What is the InChIKey of 3-methyl-1-N-(2-pyridin-2-ylethyl)butane-1,3-diamine?
The InChIKey is PBJPXACIAKFDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-12(2,13)7-10-14-9-6-11-5-3-4-8-15-11/h3-5,8,14H,6-7,9-10,13H2,1-2H3.
What are the key properties of 3-methyl-1-N-(2-pyridin-2-ylethyl)butane-1,3-diamine?
3-methyl-1-N-(2-pyridin-2-ylethyl)butane-1,3-diamine has a molecular weight of 207.32 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-N-(2-pyridin-2-ylethyl)butane-1,3-diamine is sourced from PubChem (CID 115200835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).