1-N,1-N,3-trimethyl-1-pyridin-3-ylbutane-1,3-diamine

C12H21N3 — CID 116905090

IUPAC1-N,1-N,3-trimethyl-1-pyridin-3-ylbutane-1,3-diamine
SMILESCN(C)C(CC(C)(C)N)c1cccnc1
InChIInChI=1S/C12H21N3/c1-12(2,13)8-11(15(3)4)10-6-5-7-14-9-10/h5-7,9,11H,8,13H2,1-4H3
InChIKeyXCJBIUFNYDYUCY-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.81
Rot. Bonds4

About 1-N,1-N,3-trimethyl-1-pyridin-3-ylbutane-1,3-diamine

1-N,1-N,3-trimethyl-1-pyridin-3-ylbutane-1,3-diamine (PubChem CID 116905090) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-N,1-N,3-trimethyl-1-pyridin-3-ylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N,3-trimethyl-1-pyridin-3-ylbutane-1,3-diamine
PubChem CID116905090
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-N,1-N,3-trimethyl-1-pyridin-3-ylbutane-1,3-diamine
SMILESCN(C)C(CC(C)(C)N)c1cccnc1
InChIInChI=1S/C12H21N3/c1-12(2,13)8-11(15(3)4)10-6-5-7-14-9-10/h5-7,9,11H,8,13H2,1-4H3
InChIKeyXCJBIUFNYDYUCY-UHFFFAOYSA-N
XLogP1.81
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N,1-N,3-trimethyl-1-pyridin-3-ylbutane-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

4-fluoro-2-methyl-4-pyridin-3-ylbutan-2-amine
CID 130538853
2-(dimethylamino)-2-pyridin-3-ylethanol
CID 54775729
3-(dimethylamino)-3-pyridin-3-ylpropanoic acid
CID 64526600
(1,4-diamino-4-methyl-1-pyridin-3-ylpentan-2-yl)phosphonic acid
CID 18757002
1-N,2-N,2-N,2-tetramethyl-1-pyridin-3-ylpropane-1,2-diamine
CID 79053395
4-amino-2,2-dimethyl-4-pyridin-3-ylbutanoic acid
CID 116938534
N-methyl-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 43563998
3-(3,3-dimethylbutan-2-yl)pyridine
CID 59751404
2-N'-methyl-2-N'-pyridin-3-ylpropane-2,2-diamine
CID 67770440
N-methyl-N-(1-methylsulfanylpropan-2-yl)-1-pyridin-3-ylethane-1,2-diamine
CID 112657642
3-hydrazinyl-N,N-dimethyl-3-pyridin-3-ylpropan-1-amine
CID 105259347
2-(dimethylamino)-2-pyridin-3-ylacetamide;dihydrochloride
CID 67492420

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-trimethyl-1-pyridin-3-ylbutane-1,3-diamine?
The IUPAC name of 1-N,1-N,3-trimethyl-1-pyridin-3-ylbutane-1,3-diamine (CID 116905090) is 1-N,1-N,3-trimethyl-1-pyridin-3-ylbutane-1,3-diamine.
What is the SMILES notation for 1-N,1-N,3-trimethyl-1-pyridin-3-ylbutane-1,3-diamine?
The canonical SMILES for 1-N,1-N,3-trimethyl-1-pyridin-3-ylbutane-1,3-diamine is CN(C)C(CC(C)(C)N)c1cccnc1.
What is the InChIKey of 1-N,1-N,3-trimethyl-1-pyridin-3-ylbutane-1,3-diamine?
The InChIKey is XCJBIUFNYDYUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-12(2,13)8-11(15(3)4)10-6-5-7-14-9-10/h5-7,9,11H,8,13H2,1-4H3.
What are the key properties of 1-N,1-N,3-trimethyl-1-pyridin-3-ylbutane-1,3-diamine?
1-N,1-N,3-trimethyl-1-pyridin-3-ylbutane-1,3-diamine has a molecular weight of 207.32 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-trimethyl-1-pyridin-3-ylbutane-1,3-diamine is sourced from PubChem (CID 116905090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).