4-ethyl-N-methyl-4-(3-methylbutoxy)hexan-1-amine

C14H31NO — CID 123190897

IUPAC4-ethyl-N-methyl-4-(3-methylbutoxy)hexan-1-amine
SMILESCCC(CC)(CCCNC)OCCC(C)C
InChIInChI=1S/C14H31NO/c1-6-14(7-2,10-8-11-15-5)16-12-9-13(3)4/h13,15H,6-12H2,1-5H3
InChIKeyMNCRFHJNILYPBY-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.61
Rot. Bonds10

About 4-ethyl-N-methyl-4-(3-methylbutoxy)hexan-1-amine

4-ethyl-N-methyl-4-(3-methylbutoxy)hexan-1-amine (PubChem CID 123190897) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 4-ethyl-N-methyl-4-(3-methylbutoxy)hexan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-methyl-4-(3-methylbutoxy)hexan-1-amine
PubChem CID123190897
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name4-ethyl-N-methyl-4-(3-methylbutoxy)hexan-1-amine
SMILESCCC(CC)(CCCNC)OCCC(C)C
InChIInChI=1S/C14H31NO/c1-6-14(7-2,10-8-11-15-5)16-12-9-13(3)4/h13,15H,6-12H2,1-5H3
InChIKeyMNCRFHJNILYPBY-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethyl-N-methyl-4-(3-methylbutoxy)hexan-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

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methyl-4-(3-methylbutoxy)hexan-1-amine?
The IUPAC name of 4-ethyl-N-methyl-4-(3-methylbutoxy)hexan-1-amine (CID 123190897) is 4-ethyl-N-methyl-4-(3-methylbutoxy)hexan-1-amine.
What is the SMILES notation for 4-ethyl-N-methyl-4-(3-methylbutoxy)hexan-1-amine?
The canonical SMILES for 4-ethyl-N-methyl-4-(3-methylbutoxy)hexan-1-amine is CCC(CC)(CCCNC)OCCC(C)C.
What is the InChIKey of 4-ethyl-N-methyl-4-(3-methylbutoxy)hexan-1-amine?
The InChIKey is MNCRFHJNILYPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-6-14(7-2,10-8-11-15-5)16-12-9-13(3)4/h13,15H,6-12H2,1-5H3.
What are the key properties of 4-ethyl-N-methyl-4-(3-methylbutoxy)hexan-1-amine?
4-ethyl-N-methyl-4-(3-methylbutoxy)hexan-1-amine has a molecular weight of 229.41 g/mol, XLogP of 3.61, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methyl-4-(3-methylbutoxy)hexan-1-amine is sourced from PubChem (CID 123190897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).