2-(oxan-2-ylmethoxy)-N-propylbutan-1-amine

C13H27NO2 — CID 62443742

IUPAC2-(oxan-2-ylmethoxy)-N-propylbutan-1-amine
SMILESCCCNCC(CC)OCC1CCCCO1
InChIInChI=1S/C13H27NO2/c1-3-8-14-10-12(4-2)16-11-13-7-5-6-9-15-13/h12-14H,3-11H2,1-2H3
InChIKeyVNTWZAUJVPXAHG-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.35
Rot. Bonds8

About 2-(oxan-2-ylmethoxy)-N-propylbutan-1-amine

2-(oxan-2-ylmethoxy)-N-propylbutan-1-amine (PubChem CID 62443742) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-(oxan-2-ylmethoxy)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-(oxan-2-ylmethoxy)-N-propylbutan-1-amine
PubChem CID62443742
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-(oxan-2-ylmethoxy)-N-propylbutan-1-amine
SMILESCCCNCC(CC)OCC1CCCCO1
InChIInChI=1S/C13H27NO2/c1-3-8-14-10-12(4-2)16-11-13-7-5-6-9-15-13/h12-14H,3-11H2,1-2H3
InChIKeyVNTWZAUJVPXAHG-UHFFFAOYSA-N
XLogP2.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(oxan-2-ylmethyl)propan-1-amine
CID 13288217
N-[2-(oxan-2-ylmethoxy)pentyl]cyclopropanamine
CID 83045877
2-(1,3-dimethoxypropan-2-yloxymethyl)oxane
CID 58593438
N-[2-(4-fluorophenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine
CID 62107771
N-(3-ethoxypropyl)-2-(oxolan-2-ylmethoxy)propan-1-amine
CID 55088682
1-[[(2R)-oxan-2-yl]methoxy]ethanol
CID 68624351
3-butoxy-N-(oxan-2-ylmethyl)propan-1-amine
CID 115574364
N-[2-(3-methoxyphenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine
CID 62107945
N-(2-methylpropyl)-5-(oxan-2-ylmethoxy)pentan-1-amine
CID 62443749
2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butan-1-amine
CID 43205736
2-(oxan-2-ylmethoxy)butanehydrazide
CID 63576275
3-ethoxy-N-(oxan-2-ylmethyl)propan-1-amine
CID 43403648

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-ylmethoxy)-N-propylbutan-1-amine?
The IUPAC name of 2-(oxan-2-ylmethoxy)-N-propylbutan-1-amine (CID 62443742) is 2-(oxan-2-ylmethoxy)-N-propylbutan-1-amine.
What is the SMILES notation for 2-(oxan-2-ylmethoxy)-N-propylbutan-1-amine?
The canonical SMILES for 2-(oxan-2-ylmethoxy)-N-propylbutan-1-amine is CCCNCC(CC)OCC1CCCCO1.
What is the InChIKey of 2-(oxan-2-ylmethoxy)-N-propylbutan-1-amine?
The InChIKey is VNTWZAUJVPXAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-3-8-14-10-12(4-2)16-11-13-7-5-6-9-15-13/h12-14H,3-11H2,1-2H3.
What are the key properties of 2-(oxan-2-ylmethoxy)-N-propylbutan-1-amine?
2-(oxan-2-ylmethoxy)-N-propylbutan-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-ylmethoxy)-N-propylbutan-1-amine is sourced from PubChem (CID 62443742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).