1-hexoxy-N-propylbutan-2-amine

C13H29NO — CID 62039776

IUPAC1-hexoxy-N-propylbutan-2-amine
SMILESCCCCCCOCC(CC)NCCC
InChIInChI=1S/C13H29NO/c1-4-7-8-9-11-15-12-13(6-3)14-10-5-2/h13-14H,4-12H2,1-3H3
InChIKeyYIJSUHIHEFYLPU-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.36
Rot. Bonds11

About 1-hexoxy-N-propylbutan-2-amine

1-hexoxy-N-propylbutan-2-amine (PubChem CID 62039776) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 1-hexoxy-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-hexoxy-N-propylbutan-2-amine
PubChem CID62039776
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name1-hexoxy-N-propylbutan-2-amine
SMILESCCCCCCOCC(CC)NCCC
InChIInChI=1S/C13H29NO/c1-4-7-8-9-11-15-12-13(6-3)14-10-5-2/h13-14H,4-12H2,1-3H3
InChIKeyYIJSUHIHEFYLPU-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-hexoxy-N-propylbutan-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

N-ethyl-1-pentoxybutan-2-amine
CID 62038519
1-ethoxy-N-propylbutan-2-amine
CID 62040391
1-(2-methylpropoxy)-N-propylbutan-2-amine
CID 62041041
N-(2-butoxyethyl)pentan-3-amine
CID 61168899
1-hexoxy-3-methoxy-N-methylpropan-2-amine
CID 107506726
1-(2-ethylbutoxy)decane
CID 22002893
CID 159860963
CID 159860963
1-decoxy-N-propylpropan-1-amine
CID 173331192
N-[3-(2-methylpropoxy)propyl]pentan-3-amine
CID 28681675
3-propoxy-2-(propylamino)propan-1-ol
CID 64808128
1-(2-methylpropoxy)tridecane
CID 91526471
1-(2-methylpropoxy)undecane
CID 58527571

Frequently Asked Questions

What is the IUPAC name of 1-hexoxy-N-propylbutan-2-amine?
The IUPAC name of 1-hexoxy-N-propylbutan-2-amine (CID 62039776) is 1-hexoxy-N-propylbutan-2-amine.
What is the SMILES notation for 1-hexoxy-N-propylbutan-2-amine?
The canonical SMILES for 1-hexoxy-N-propylbutan-2-amine is CCCCCCOCC(CC)NCCC.
What is the InChIKey of 1-hexoxy-N-propylbutan-2-amine?
The InChIKey is YIJSUHIHEFYLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-4-7-8-9-11-15-12-13(6-3)14-10-5-2/h13-14H,4-12H2,1-3H3.
What are the key properties of 1-hexoxy-N-propylbutan-2-amine?
1-hexoxy-N-propylbutan-2-amine has a molecular weight of 215.38 g/mol, XLogP of 3.36, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexoxy-N-propylbutan-2-amine is sourced from PubChem (CID 62039776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).