3-methyl-3-N-(2,2,3-trimethylbutyl)butane-1,3-diamine

C12H28N2 — CID 115135061

IUPAC3-methyl-3-N-(2,2,3-trimethylbutyl)butane-1,3-diamine
SMILESCC(C)C(C)(C)CNC(C)(C)CCN
InChIInChI=1S/C12H28N2/c1-10(2)11(3,4)9-14-12(5,6)7-8-13/h10,14H,7-9,13H2,1-6H3
InChIKeyMZOGADBMHGHDDE-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.39
Rot. Bonds6

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

3-methyl-3-N-(2,2,3-trimethylbutyl)butane-1,3-diamine (PubChem CID 115135061) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 3-methyl-3-N-(2,2,3-trimethylbutyl)butane-1,3-diamine.

Molecular Properties

Compound Name3-methyl-3-N-(2,2,3-trimethylbutyl)butane-1,3-diamine
PubChem CID115135061
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name3-methyl-3-N-(2,2,3-trimethylbutyl)butane-1,3-diamine
SMILESCC(C)C(C)(C)CNC(C)(C)CCN
InChIInChI=1S/C12H28N2/c1-10(2)11(3,4)9-14-12(5,6)7-8-13/h10,14H,7-9,13H2,1-6H3
InChIKeyMZOGADBMHGHDDE-UHFFFAOYSA-N
XLogP2.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-amino-2-methylbutan-2-yl)amino]propan-2-ol
CID 174707457
3-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutane-1,3-diamine
CID 115135098
6-amino-4-methyl-N-(2,2,3-trimethylbutyl)hexanamide
CID 114100113
ethane;N,2,2,3-tetramethylbutan-1-amine
CID 142529436
3-methyl-3-(3,3,4-trimethylpentoxy)butan-1-amine
CID 153375570
3-N,3-dimethylbutane-1,3-diamine
CID 89269662
3-methyl-3-N-(2-methyl-2-pyridin-2-ylpropyl)butane-1,3-diamine
CID 115135085
3-methyl-3-N-[(4-propan-2-ylsulfanylphenyl)methyl]butane-1,3-diamine
CID 115134739
N-[1-[(4-amino-2-methylbutan-2-yl)amino]-2-methylpropan-2-yl]-2,2,5,5-tetramethylhexanamide
CID 143529197
ethane;3,3,4-trimethylheptan-1-amine
CID 143679241
3,3,5-trimethylhexane-1,4-diamine
CID 116934431
N-[[4-(2-aminoethyl)phenyl]methyl]-2,2,3-trimethylbutan-1-amine
CID 114100591

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-N-(2,2,3-trimethylbutyl)butane-1,3-diamine?
The IUPAC name of 3-methyl-3-N-(2,2,3-trimethylbutyl)butane-1,3-diamine (CID 115135061) is 3-methyl-3-N-(2,2,3-trimethylbutyl)butane-1,3-diamine.
What is the SMILES notation for 3-methyl-3-N-(2,2,3-trimethylbutyl)butane-1,3-diamine?
The canonical SMILES for 3-methyl-3-N-(2,2,3-trimethylbutyl)butane-1,3-diamine is CC(C)C(C)(C)CNC(C)(C)CCN.
What is the InChIKey of 3-methyl-3-N-(2,2,3-trimethylbutyl)butane-1,3-diamine?
The InChIKey is MZOGADBMHGHDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-10(2)11(3,4)9-14-12(5,6)7-8-13/h10,14H,7-9,13H2,1-6H3.
What are the key properties of 3-methyl-3-N-(2,2,3-trimethylbutyl)butane-1,3-diamine?
3-methyl-3-N-(2,2,3-trimethylbutyl)butane-1,3-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-N-(2,2,3-trimethylbutyl)butane-1,3-diamine is sourced from PubChem (CID 115135061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).