3,3-dimethyl-2-N-pyridin-4-ylbutane-1,2-diamine

C11H19N3 — CID 126974215

IUPAC3,3-dimethyl-2-N-pyridin-4-ylbutane-1,2-diamine
SMILESCC(C)(C)C(CN)Nc1ccncc1
InChIInChI=1S/C11H19N3/c1-11(2,3)10(8-12)14-9-4-6-13-7-5-9/h4-7,10H,8,12H2,1-3H3,(H,13,14)
InChIKeyBYYFOCCPENOFTA-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.87
Rot. Bonds3

About 3,3-dimethyl-2-N-pyridin-4-ylbutane-1,2-diamine

3,3-dimethyl-2-N-pyridin-4-ylbutane-1,2-diamine (PubChem CID 126974215) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 3,3-dimethyl-2-N-pyridin-4-ylbutane-1,2-diamine.

Molecular Properties

Compound Name3,3-dimethyl-2-N-pyridin-4-ylbutane-1,2-diamine
PubChem CID126974215
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name3,3-dimethyl-2-N-pyridin-4-ylbutane-1,2-diamine
SMILESCC(C)(C)C(CN)Nc1ccncc1
InChIInChI=1S/C11H19N3/c1-11(2,3)10(8-12)14-9-4-6-13-7-5-9/h4-7,10H,8,12H2,1-3H3,(H,13,14)
InChIKeyBYYFOCCPENOFTA-UHFFFAOYSA-N
XLogP1.87
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,3-dimethyl-2-N-pyridin-4-ylbutane-1,2-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

4,4-dimethyl-3-N-pyridin-4-ylpentane-1,3-diamine
CID 106357771
4-[(1-amino-3,3-dimethylbutan-2-yl)amino]phenol
CID 105462116
2-N-(4-fluorophenyl)-3,3-dimethylbutane-1,2-diamine
CID 65378955
3-methyl-2-N-pyridin-4-ylbutane-1,2-diamine
CID 65192390
3-methoxy-2-N-pyridin-4-ylpropane-1,2-diamine
CID 106182027
3-N-(2-methoxy-4-pyridinyl)-4,4-dimethylpentane-1,3-diamine
CID 106357770
2-methyl-2-N-pyridin-4-ylbutane-1,2-diamine
CID 64549693
2,2-dimethyl-N-(1-pyridin-4-ylethyl)pentan-3-amine
CID 115880423
N-(4-chlorophenyl)-1-pyridin-4-ylethane-1,2-diamine
CID 82131042
N-(6-methylheptan-2-yl)pyridin-4-amine
CID 61472376
3-(aminomethyl)-N-pyridin-4-ylpentanamide
CID 81070382
(1S)-2,2-dimethyl-1-pyridin-4-ylpropan-1-amine
CID 94424618

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-N-pyridin-4-ylbutane-1,2-diamine?
The IUPAC name of 3,3-dimethyl-2-N-pyridin-4-ylbutane-1,2-diamine (CID 126974215) is 3,3-dimethyl-2-N-pyridin-4-ylbutane-1,2-diamine.
What is the SMILES notation for 3,3-dimethyl-2-N-pyridin-4-ylbutane-1,2-diamine?
The canonical SMILES for 3,3-dimethyl-2-N-pyridin-4-ylbutane-1,2-diamine is CC(C)(C)C(CN)Nc1ccncc1.
What is the InChIKey of 3,3-dimethyl-2-N-pyridin-4-ylbutane-1,2-diamine?
The InChIKey is BYYFOCCPENOFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-11(2,3)10(8-12)14-9-4-6-13-7-5-9/h4-7,10H,8,12H2,1-3H3,(H,13,14).
What are the key properties of 3,3-dimethyl-2-N-pyridin-4-ylbutane-1,2-diamine?
3,3-dimethyl-2-N-pyridin-4-ylbutane-1,2-diamine has a molecular weight of 193.29 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-N-pyridin-4-ylbutane-1,2-diamine is sourced from PubChem (CID 126974215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).