2,2,3,3-tetramethyl-N-(2-methylpropyl)butan-1-amine

C12H27N — CID 138647776

IUPAC2,2,3,3-tetramethyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(C)(C)C(C)(C)C
InChIInChI=1S/C12H27N/c1-10(2)8-13-9-12(6,7)11(3,4)5/h10,13H,8-9H2,1-7H3
InChIKeyGQLLVQNVCUUORG-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.30
Rot. Bonds4

About 2,2,3,3-tetramethyl-N-(2-methylpropyl)butan-1-amine

2,2,3,3-tetramethyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 138647776) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-N-(2-methylpropyl)butan-1-amine
PubChem CID138647776
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name2,2,3,3-tetramethyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(C)(C)C(C)(C)C
InChIInChI=1S/C12H27N/c1-10(2)8-13-9-12(6,7)11(3,4)5/h10,13H,8-9H2,1-7H3
InChIKeyGQLLVQNVCUUORG-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2,3,3-tetramethyl-N-(2-methylpropyl)butan-1-amine 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-methyl-N'-(2,2,3,3-tetramethylbutyl)propane-1,3-diamine
CID 115198913
2,3,3-trimethyl-1-(2-methylpropylamino)butan-2-ol
CID 80559417
N,2-dimethyl-2-(methylaminomethyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 90693436
CID 175939227
CID 175939227
3,3-dimethyl-4-(2-methylpropylamino)butan-1-ol
CID 115876647
2-methyl-N-(2-methylpropyl)propan-1-amine;hydrochloride
CID 519535
2,3-dimethyl-1-(2-methylpropylamino)but-3-en-2-ol
CID 79178435
2-methyl-N-(2-methylpropyl)-2-propylnonan-1-amine
CID 63509093
2-methyl-2-(2-methylphenyl)-N-(2-methylpropyl)propan-1-amine
CID 62596032
N,2,2-trimethyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
CID 62261892
2,6-dimethyl-1-(2-methylpropylamino)heptan-2-ol
CID 83168632
2-ethyl-2-methyl-N'-(2-methylpropyl)-N,N-dipropylpropane-1,3-diamine
CID 63482502

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2,2,3,3-tetramethyl-N-(2-methylpropyl)butan-1-amine (CID 138647776) is 2,2,3,3-tetramethyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2,2,3,3-tetramethyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2,2,3,3-tetramethyl-N-(2-methylpropyl)butan-1-amine is CC(C)CNCC(C)(C)C(C)(C)C.
What is the InChIKey of 2,2,3,3-tetramethyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is GQLLVQNVCUUORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-10(2)8-13-9-12(6,7)11(3,4)5/h10,13H,8-9H2,1-7H3.
What are the key properties of 2,2,3,3-tetramethyl-N-(2-methylpropyl)butan-1-amine?
2,2,3,3-tetramethyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 185.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 138647776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).