N',2,2-trimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine

C12H21N3 — CID 62256476

IUPACN',2,2-trimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
SMILESCN(Cc1ccccn1)CC(C)(C)CN
InChIInChI=1S/C12H21N3/c1-12(2,9-13)10-15(3)8-11-6-4-5-7-14-11/h4-7H,8-10,13H2,1-3H3
InChIKeyLACPGXFPZYPUIB-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.50
Rot. Bonds5

About N',2,2-trimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine

N',2,2-trimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine (PubChem CID 62256476) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N',2,2-trimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN',2,2-trimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
PubChem CID62256476
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN',2,2-trimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
SMILESCN(Cc1ccccn1)CC(C)(C)CN
InChIInChI=1S/C12H21N3/c1-12(2,9-13)10-15(3)8-11-6-4-5-7-14-11/h4-7H,8-10,13H2,1-3H3
InChIKeyLACPGXFPZYPUIB-UHFFFAOYSA-N
XLogP1.50
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N',2,2-trimethyl-N'-(pyridin-2-ylmethyl)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

N',2,2-trimethyl-N'-(pyridin-2-ylmethyl)pentane-1,5-diamine
CID 65254292
2-methyl-1-[methyl(pyridin-2-ylmethyl)amino]propane-2-thiol
CID 91261751
2,2-dimethyl-N'-propyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 79668381
1-N,2-N,2-trimethyl-1-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 62846215
2-N,2-dimethyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 43564797
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
3,3-dimethyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-one
CID 66453800
2-methyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-ol
CID 79360655
N'-benzyl-N',2,2-trimethylpropane-1,3-diamine
CID 62262842
2-(bromomethyl)-2-ethyl-N-methyl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 65003475
N'-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine
CID 79653285

Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N',2,2-trimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine (CID 62256476) is N',2,2-trimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N',2,2-trimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N',2,2-trimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine is CN(Cc1ccccn1)CC(C)(C)CN.
What is the InChIKey of N',2,2-trimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine?
The InChIKey is LACPGXFPZYPUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-12(2,9-13)10-15(3)8-11-6-4-5-7-14-11/h4-7H,8-10,13H2,1-3H3.
What are the key properties of N',2,2-trimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine?
N',2,2-trimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine has a molecular weight of 207.32 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2-trimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 62256476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).