2-methyl-N'-(2,2,3,3-tetramethylbutyl)propane-1,3-diamine

C12H28N2 — CID 115198913

IUPAC2-methyl-N'-(2,2,3,3-tetramethylbutyl)propane-1,3-diamine
SMILESCC(CN)CNCC(C)(C)C(C)(C)C
InChIInChI=1S/C12H28N2/c1-10(7-13)8-14-9-12(5,6)11(2,3)4/h10,14H,7-9,13H2,1-6H3
InChIKeyCCZQAWWUIAWAPY-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.24
Rot. Bonds5

About 2-methyl-N'-(2,2,3,3-tetramethylbutyl)propane-1,3-diamine

2-methyl-N'-(2,2,3,3-tetramethylbutyl)propane-1,3-diamine (PubChem CID 115198913) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 2-methyl-N'-(2,2,3,3-tetramethylbutyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-methyl-N'-(2,2,3,3-tetramethylbutyl)propane-1,3-diamine
PubChem CID115198913
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name2-methyl-N'-(2,2,3,3-tetramethylbutyl)propane-1,3-diamine
SMILESCC(CN)CNCC(C)(C)C(C)(C)C
InChIInChI=1S/C12H28N2/c1-10(7-13)8-14-9-12(5,6)11(2,3)4/h10,14H,7-9,13H2,1-6H3
InChIKeyCCZQAWWUIAWAPY-UHFFFAOYSA-N
XLogP2.24
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-N'-(2,2,3,3-tetramethylbutyl)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

2,2,3,3-tetramethyl-N-(2-methylpropyl)butan-1-amine
CID 138647776
N'-(2,2,3,3-tetramethylbutyl)methanediamine
CID 115226324
N'-(2-cyclopentyl-2-methylpropyl)-2-methylpropane-1,3-diamine
CID 115198967
2-methyl-N'-[2-methyl-2-(3-methylphenyl)propyl]propane-1,3-diamine
CID 115198955
4-amino-3-methyl-N-(2,2,3,3-tetramethylbutyl)butanamide
CID 115156508
N'-(2-aminopropyl)-2-methylpropane-1,3-diamine
CID 168896832
N'-(2,2-difluoroethyl)-2-methylpropane-1,3-diamine
CID 115407517
1-[(3-amino-2-methylpropyl)amino]propan-2-ol
CID 130604418
N'-[2-(3-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,3-diamine
CID 115198963
3-[(3-amino-2-methylpropyl)amino]propanenitrile
CID 130604402
N'-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,3-diamine
CID 115198929
2,2,3,3-tetramethylbutylhydrazine
CID 130727218

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(2,2,3,3-tetramethylbutyl)propane-1,3-diamine?
The IUPAC name of 2-methyl-N'-(2,2,3,3-tetramethylbutyl)propane-1,3-diamine (CID 115198913) is 2-methyl-N'-(2,2,3,3-tetramethylbutyl)propane-1,3-diamine.
What is the SMILES notation for 2-methyl-N'-(2,2,3,3-tetramethylbutyl)propane-1,3-diamine?
The canonical SMILES for 2-methyl-N'-(2,2,3,3-tetramethylbutyl)propane-1,3-diamine is CC(CN)CNCC(C)(C)C(C)(C)C.
What is the InChIKey of 2-methyl-N'-(2,2,3,3-tetramethylbutyl)propane-1,3-diamine?
The InChIKey is CCZQAWWUIAWAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-10(7-13)8-14-9-12(5,6)11(2,3)4/h10,14H,7-9,13H2,1-6H3.
What are the key properties of 2-methyl-N'-(2,2,3,3-tetramethylbutyl)propane-1,3-diamine?
2-methyl-N'-(2,2,3,3-tetramethylbutyl)propane-1,3-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(2,2,3,3-tetramethylbutyl)propane-1,3-diamine is sourced from PubChem (CID 115198913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).