hexane;2,3,4-trimethylpentan-3-amine

C14H33N — CID 174790441

IUPAChexane;2,3,4-trimethylpentan-3-amine
SMILESCC(C)C(C)(N)C(C)C.CCCCCC
InChIInChI=1S/C8H19N.C6H14/c1-6(2)8(5,9)7(3)4;1-3-5-6-4-2/h6-7H,9H2,1-5H3;3-6H2,1-2H3
InChIKeyMIYWMLZMYZTXBD-UHFFFAOYSA-N
MW215.42 g/mol
LogP4.60
Rot. Bonds5

About hexane;2,3,4-trimethylpentan-3-amine

hexane;2,3,4-trimethylpentan-3-amine (PubChem CID 174790441) has the molecular formula C14H33N and a molecular weight of 215.42 g/mol. Its IUPAC name is hexane;2,3,4-trimethylpentan-3-amine.

Molecular Properties

Compound Namehexane;2,3,4-trimethylpentan-3-amine
PubChem CID174790441
Molecular FormulaC14H33N
Molecular Weight215.42 g/mol
Exact Mass215.26
IUPAC Namehexane;2,3,4-trimethylpentan-3-amine
SMILESCC(C)C(C)(N)C(C)C.CCCCCC
InChIInChI=1S/C8H19N.C6H14/c1-6(2)8(5,9)7(3)4;1-3-5-6-4-2/h6-7H,9H2,1-5H3;3-6H2,1-2H3
InChIKeyMIYWMLZMYZTXBD-UHFFFAOYSA-N
XLogP4.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.42
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze hexane;2,3,4-trimethylpentan-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

ethanol;2,3,4-trimethylpentan-3-amine
CID 175160017
2,3,4-trimethylpentan-3-amine;hydrobromide
CID 18185119
2,3-dimethylbutane-2,3-diamine;hexane
CID 88683031
dodecan-1-amine;2,2,3-trimethylbutane
CID 143310414
3-methylheptadecane-2,2-diamine
CID 141040528
2,3-dimethylhexadecan-2-amine
CID 87479269
6-methyl-6-propan-2-ylundecane
CID 87930599
ethane;hexane;2,3,3-trimethylpentane
CID 143714855
2,3-dimethylnonan-2-amine;hydrofluoride
CID 173042328
ethane;2,3,3-trimethyloctane
CID 142049944
2,3,3-trimethyloctadecane
CID 90966938
2,3-dimethyl-3-propan-2-yldodecane
CID 150435624

Frequently Asked Questions

What is the IUPAC name of hexane;2,3,4-trimethylpentan-3-amine?
The IUPAC name of hexane;2,3,4-trimethylpentan-3-amine (CID 174790441) is hexane;2,3,4-trimethylpentan-3-amine.
What is the SMILES notation for hexane;2,3,4-trimethylpentan-3-amine?
The canonical SMILES for hexane;2,3,4-trimethylpentan-3-amine is CC(C)C(C)(N)C(C)C.CCCCCC.
What is the InChIKey of hexane;2,3,4-trimethylpentan-3-amine?
The InChIKey is MIYWMLZMYZTXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.C6H14/c1-6(2)8(5,9)7(3)4;1-3-5-6-4-2/h6-7H,9H2,1-5H3;3-6H2,1-2H3.
What are the key properties of hexane;2,3,4-trimethylpentan-3-amine?
hexane;2,3,4-trimethylpentan-3-amine has a molecular weight of 215.42 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexane;2,3,4-trimethylpentan-3-amine is sourced from PubChem (CID 174790441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).