N',2,2-trimethyl-N'-(4-methyl-2-pyridinyl)propane-1,3-diamine

C12H21N3 — CID 79652083

IUPACN',2,2-trimethyl-N'-(4-methyl-2-pyridinyl)propane-1,3-diamine
SMILESCc1ccnc(N(C)CC(C)(C)CN)c1
InChIInChI=1S/C12H21N3/c1-10-5-6-14-11(7-10)15(4)9-12(2,3)8-13/h5-7H,8-9,13H2,1-4H3
InChIKeyYXBMUPILFPMTNX-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.81
Rot. Bonds4

About N',2,2-trimethyl-N'-(4-methyl-2-pyridinyl)propane-1,3-diamine

N',2,2-trimethyl-N'-(4-methyl-2-pyridinyl)propane-1,3-diamine (PubChem CID 79652083) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N',2,2-trimethyl-N'-(4-methyl-2-pyridinyl)propane-1,3-diamine.

Molecular Properties

Compound NameN',2,2-trimethyl-N'-(4-methyl-2-pyridinyl)propane-1,3-diamine
PubChem CID79652083
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN',2,2-trimethyl-N'-(4-methyl-2-pyridinyl)propane-1,3-diamine
SMILESCc1ccnc(N(C)CC(C)(C)CN)c1
InChIInChI=1S/C12H21N3/c1-10-5-6-14-11(7-10)15(4)9-12(2,3)8-13/h5-7H,8-9,13H2,1-4H3
InChIKeyYXBMUPILFPMTNX-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 N',2,2-trimethyl-N'-(4-methyl-2-pyridinyl)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

Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N'-(4-methyl-2-pyridinyl)propane-1,3-diamine?
The IUPAC name of N',2,2-trimethyl-N'-(4-methyl-2-pyridinyl)propane-1,3-diamine (CID 79652083) is N',2,2-trimethyl-N'-(4-methyl-2-pyridinyl)propane-1,3-diamine.
What is the SMILES notation for N',2,2-trimethyl-N'-(4-methyl-2-pyridinyl)propane-1,3-diamine?
The canonical SMILES for N',2,2-trimethyl-N'-(4-methyl-2-pyridinyl)propane-1,3-diamine is Cc1ccnc(N(C)CC(C)(C)CN)c1.
What is the InChIKey of N',2,2-trimethyl-N'-(4-methyl-2-pyridinyl)propane-1,3-diamine?
The InChIKey is YXBMUPILFPMTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10-5-6-14-11(7-10)15(4)9-12(2,3)8-13/h5-7H,8-9,13H2,1-4H3.
What are the key properties of N',2,2-trimethyl-N'-(4-methyl-2-pyridinyl)propane-1,3-diamine?
N',2,2-trimethyl-N'-(4-methyl-2-pyridinyl)propane-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 N',2,2-trimethyl-N'-(4-methyl-2-pyridinyl)propane-1,3-diamine is sourced from PubChem (CID 79652083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).