3-N-methyl-3-N-(4-methyl-2-pyridinyl)butane-1,3-diamine

C11H19N3 — CID 63225571

IUPAC3-N-methyl-3-N-(4-methyl-2-pyridinyl)butane-1,3-diamine
SMILESCc1ccnc(N(C)C(C)CCN)c1
InChIInChI=1S/C11H19N3/c1-9-5-7-13-11(8-9)14(3)10(2)4-6-12/h5,7-8,10H,4,6,12H2,1-3H3
InChIKeyGVLREKXYJBFXAH-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.56
Rot. Bonds4

About 3-N-methyl-3-N-(4-methyl-2-pyridinyl)butane-1,3-diamine

3-N-methyl-3-N-(4-methyl-2-pyridinyl)butane-1,3-diamine (PubChem CID 63225571) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-N-methyl-3-N-(4-methyl-2-pyridinyl)butane-1,3-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-(4-methyl-2-pyridinyl)butane-1,3-diamine
PubChem CID63225571
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name3-N-methyl-3-N-(4-methyl-2-pyridinyl)butane-1,3-diamine
SMILESCc1ccnc(N(C)C(C)CCN)c1
InChIInChI=1S/C11H19N3/c1-9-5-7-13-11(8-9)14(3)10(2)4-6-12/h5,7-8,10H,4,6,12H2,1-3H3
InChIKeyGVLREKXYJBFXAH-UHFFFAOYSA-N
XLogP1.56
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-N-methyl-3-N-(4-methyl-2-pyridinyl)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

3-N-methyl-3-N-pyridin-2-ylbutane-1,3-diamine
CID 63225574
3-N-methyl-3-N-pyrazin-2-ylbutane-1,3-diamine
CID 63225624
N,N,4-trimethylpyridin-2-amine
CID 18797061
N-(2-bromopropyl)-N,4-dimethylpyridin-2-amine
CID 80670331
3-N-methyl-3-N-(6-methylnaphthalen-2-yl)butane-1,3-diamine
CID 117040314
4-[methyl-(4-methyl-2-pyridinyl)amino]butan-2-ol
CID 115695412
N,N-diethyl-4-methylpyridin-2-amine
CID 14197874
2-[methyl(pentan-2-yl)amino]pyridine-4-carbothioamide
CID 43572453
6-(2-aminoethyl)-N,2-dimethyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]pyrimidin-4-amine
CID 56722794
3-amino-1-(4-methyl-2-pyridinyl)propan-1-ol
CID 130153201
3-N-(4-chlorophenyl)-3-N-methylbutane-1,3-diamine
CID 82113445
N',2,2-trimethyl-N'-(4-methyl-2-pyridinyl)propane-1,3-diamine
CID 79652083

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-(4-methyl-2-pyridinyl)butane-1,3-diamine?
The IUPAC name of 3-N-methyl-3-N-(4-methyl-2-pyridinyl)butane-1,3-diamine (CID 63225571) is 3-N-methyl-3-N-(4-methyl-2-pyridinyl)butane-1,3-diamine.
What is the SMILES notation for 3-N-methyl-3-N-(4-methyl-2-pyridinyl)butane-1,3-diamine?
The canonical SMILES for 3-N-methyl-3-N-(4-methyl-2-pyridinyl)butane-1,3-diamine is Cc1ccnc(N(C)C(C)CCN)c1.
What is the InChIKey of 3-N-methyl-3-N-(4-methyl-2-pyridinyl)butane-1,3-diamine?
The InChIKey is GVLREKXYJBFXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-9-5-7-13-11(8-9)14(3)10(2)4-6-12/h5,7-8,10H,4,6,12H2,1-3H3.
What are the key properties of 3-N-methyl-3-N-(4-methyl-2-pyridinyl)butane-1,3-diamine?
3-N-methyl-3-N-(4-methyl-2-pyridinyl)butane-1,3-diamine has a molecular weight of 193.29 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-(4-methyl-2-pyridinyl)butane-1,3-diamine is sourced from PubChem (CID 63225571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).