N-ethyl-2,4,4-trimethylhexan-3-amine

C11H25N — CID 114978547

IUPACN-ethyl-2,4,4-trimethylhexan-3-amine
SMILESCCNC(C(C)C)C(C)(C)CC
InChIInChI=1S/C11H25N/c1-7-11(5,6)10(9(3)4)12-8-2/h9-10,12H,7-8H2,1-6H3
InChIKeyVSLLMNPILRVUPC-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.06
Rot. Bonds5

About N-ethyl-2,4,4-trimethylhexan-3-amine

N-ethyl-2,4,4-trimethylhexan-3-amine (PubChem CID 114978547) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is N-ethyl-2,4,4-trimethylhexan-3-amine.

Molecular Properties

Compound NameN-ethyl-2,4,4-trimethylhexan-3-amine
PubChem CID114978547
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC NameN-ethyl-2,4,4-trimethylhexan-3-amine
SMILESCCNC(C(C)C)C(C)(C)CC
InChIInChI=1S/C11H25N/c1-7-11(5,6)10(9(3)4)12-8-2/h9-10,12H,7-8H2,1-6H3
InChIKeyVSLLMNPILRVUPC-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-ethyl-2,4,4-trimethylhexan-3-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

2,4,4-trimethylhexan-3-ylhydrazine
CID 105281793
N-ethyl-2,4-dimethyl-2-methylsulfonylpentan-3-amine
CID 114978377
N-ethyl-3,3,6-trimethyloctan-4-amine
CID 115846245
1-N-ethyl-2,2-dimethyl-1-N'-(2-methylbutan-2-yl)propane-1,1-diamine
CID 154626390
1-N-ethyl-2,2-dimethyl-1-N'-propylpropane-1,1-diamine
CID 154626474
2,3,4,5,6,6,7,8,9,10,11,11-dodecamethyltridecane
CID 123540393
3,3,5-trimethyloctan-4-ylhydrazine
CID 107896017
N-ethyl-3-methoxy-3,5-dimethyloctan-4-amine
CID 107896897
N-ethyl-2,2,5,6,6-pentamethylheptan-3-amine
CID 115854187
N-ethyl-2,5,6,6-tetramethylheptan-3-amine
CID 114978235
(5-ethyl-3,3-dimethylheptan-4-yl)hydrazine
CID 105324160
2-N,2-N,3-N-triethyl-2,4-dimethylhexane-2,3-diamine
CID 79445200

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,4,4-trimethylhexan-3-amine?
The IUPAC name of N-ethyl-2,4,4-trimethylhexan-3-amine (CID 114978547) is N-ethyl-2,4,4-trimethylhexan-3-amine.
What is the SMILES notation for N-ethyl-2,4,4-trimethylhexan-3-amine?
The canonical SMILES for N-ethyl-2,4,4-trimethylhexan-3-amine is CCNC(C(C)C)C(C)(C)CC.
What is the InChIKey of N-ethyl-2,4,4-trimethylhexan-3-amine?
The InChIKey is VSLLMNPILRVUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-7-11(5,6)10(9(3)4)12-8-2/h9-10,12H,7-8H2,1-6H3.
What are the key properties of N-ethyl-2,4,4-trimethylhexan-3-amine?
N-ethyl-2,4,4-trimethylhexan-3-amine has a molecular weight of 171.33 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,4,4-trimethylhexan-3-amine is sourced from PubChem (CID 114978547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).