6-(2-ethylhexoxy)-N-propylhexan-2-amine

C17H37NO — CID 63475972

IUPAC6-(2-ethylhexoxy)-N-propylhexan-2-amine
SMILESCCCCC(CC)COCCCCC(C)NCCC
InChIInChI=1S/C17H37NO/c1-5-8-12-17(7-3)15-19-14-10-9-11-16(4)18-13-6-2/h16-18H,5-15H2,1-4H3
InChIKeyISPDYXXJTZBATG-UHFFFAOYSA-N
MW271.49 g/mol
LogP4.78
Rot. Bonds14

About 6-(2-ethylhexoxy)-N-propylhexan-2-amine

6-(2-ethylhexoxy)-N-propylhexan-2-amine (PubChem CID 63475972) has the molecular formula C17H37NO and a molecular weight of 271.49 g/mol. Its IUPAC name is 6-(2-ethylhexoxy)-N-propylhexan-2-amine.

Molecular Properties

Compound Name6-(2-ethylhexoxy)-N-propylhexan-2-amine
PubChem CID63475972
Molecular FormulaC17H37NO
Molecular Weight271.49 g/mol
Exact Mass271.29
IUPAC Name6-(2-ethylhexoxy)-N-propylhexan-2-amine
SMILESCCCCC(CC)COCCCCC(C)NCCC
InChIInChI=1S/C17H37NO/c1-5-8-12-17(7-3)15-19-14-10-9-11-16(4)18-13-6-2/h16-18H,5-15H2,1-4H3
InChIKeyISPDYXXJTZBATG-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(2-ethylhexoxy)-N-propylhexan-2-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

decane;ethane;1-(2-ethyloctoxy)tetradecane
CID 155743358
2-[(2S)-2-ethylhexoxy]-N-[2-[(2R)-2-ethylhexoxy]ethyl]ethanamine
CID 27255212
1-[4-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]butoxy]dodecane
CID 129302674
3-[2-(2-methylhexoxy)ethoxymethyl]octane
CID 171470353
8-(2-ethylhexoxy)octan-1-amine
CID 87537137
N-propylnonan-2-amine
CID 43129664
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
N-[5-(2-ethylhexoxy)pentyl]cyclopropanamine
CID 62457946
3-[2-(4-chlorobutoxy)ethoxymethyl]heptane
CID 129278916
2-ethoxy-N-[2-(2-ethylhexoxy)ethyl]ethanamine
CID 62597434
9-(tetradecoxymethyl)nonadecane
CID 142746550
7-(nonoxymethyl)pentadecane
CID 86224814

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylhexoxy)-N-propylhexan-2-amine?
The IUPAC name of 6-(2-ethylhexoxy)-N-propylhexan-2-amine (CID 63475972) is 6-(2-ethylhexoxy)-N-propylhexan-2-amine.
What is the SMILES notation for 6-(2-ethylhexoxy)-N-propylhexan-2-amine?
The canonical SMILES for 6-(2-ethylhexoxy)-N-propylhexan-2-amine is CCCCC(CC)COCCCCC(C)NCCC.
What is the InChIKey of 6-(2-ethylhexoxy)-N-propylhexan-2-amine?
The InChIKey is ISPDYXXJTZBATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO/c1-5-8-12-17(7-3)15-19-14-10-9-11-16(4)18-13-6-2/h16-18H,5-15H2,1-4H3.
What are the key properties of 6-(2-ethylhexoxy)-N-propylhexan-2-amine?
6-(2-ethylhexoxy)-N-propylhexan-2-amine has a molecular weight of 271.49 g/mol, XLogP of 4.78, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylhexoxy)-N-propylhexan-2-amine is sourced from PubChem (CID 63475972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).