2-hexoxy-N-propan-2-ylpentan-1-amine

C14H31NO — CID 83044468

IUPAC2-hexoxy-N-propan-2-ylpentan-1-amine
SMILESCCCCCCOC(CCC)CNC(C)C
InChIInChI=1S/C14H31NO/c1-5-7-8-9-11-16-14(10-6-2)12-15-13(3)4/h13-15H,5-12H2,1-4H3
InChIKeyGJBHMQUTXUGPPA-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.75
Rot. Bonds11

About 2-hexoxy-N-propan-2-ylpentan-1-amine

2-hexoxy-N-propan-2-ylpentan-1-amine (PubChem CID 83044468) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 2-hexoxy-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name2-hexoxy-N-propan-2-ylpentan-1-amine
PubChem CID83044468
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name2-hexoxy-N-propan-2-ylpentan-1-amine
SMILESCCCCCCOC(CCC)CNC(C)C
InChIInChI=1S/C14H31NO/c1-5-7-8-9-11-16-14(10-6-2)12-15-13(3)4/h13-15H,5-12H2,1-4H3
InChIKeyGJBHMQUTXUGPPA-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-hexoxy-N-propan-2-ylpentan-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

Related Compounds

2-hexoxy-3-methoxy-N-propan-2-ylpropan-1-amine
CID 103227914
1-(2,3-dihexadecoxypropoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 23466152
N-propan-2-yl-2-(3-pyridin-4-ylpropoxy)pentan-1-amine
CID 83044112
1-[(2S)-2-octadecoxypentoxy]octadecane
CID 173435478
N-propan-2-yl-2-prop-2-enoxypentan-1-amine
CID 83045872
N-(2-pentoxypentyl)cyclopropanamine
CID 83045907
6-octoxyundecane
CID 20520524
10-decoxyicosane
CID 150196888
4-octan-2-yloxy-N-propan-2-ylbutan-1-amine
CID 55133286
1-pentan-3-yloxydecane
CID 173279604
N-propan-2-yl-2-propylheptan-1-amine
CID 62529127
N-ethyl-1-hexoxyethanamine
CID 22450267

Frequently Asked Questions

What is the IUPAC name of 2-hexoxy-N-propan-2-ylpentan-1-amine?
The IUPAC name of 2-hexoxy-N-propan-2-ylpentan-1-amine (CID 83044468) is 2-hexoxy-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 2-hexoxy-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 2-hexoxy-N-propan-2-ylpentan-1-amine is CCCCCCOC(CCC)CNC(C)C.
What is the InChIKey of 2-hexoxy-N-propan-2-ylpentan-1-amine?
The InChIKey is GJBHMQUTXUGPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-5-7-8-9-11-16-14(10-6-2)12-15-13(3)4/h13-15H,5-12H2,1-4H3.
What are the key properties of 2-hexoxy-N-propan-2-ylpentan-1-amine?
2-hexoxy-N-propan-2-ylpentan-1-amine has a molecular weight of 229.41 g/mol, XLogP of 3.75, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxy-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 83044468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).