3-butoxy-N-(oxan-2-ylmethyl)propan-1-amine

C13H27NO2 — CID 115574364

IUPAC3-butoxy-N-(oxan-2-ylmethyl)propan-1-amine
SMILESCCCCOCCCNCC1CCCCO1
InChIInChI=1S/C13H27NO2/c1-2-3-9-15-10-6-8-14-12-13-7-4-5-11-16-13/h13-14H,2-12H2,1H3
InChIKeyXPCKHAFLKWDAKV-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.35
Rot. Bonds9

About 3-butoxy-N-(oxan-2-ylmethyl)propan-1-amine

3-butoxy-N-(oxan-2-ylmethyl)propan-1-amine (PubChem CID 115574364) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 3-butoxy-N-(oxan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-butoxy-N-(oxan-2-ylmethyl)propan-1-amine
PubChem CID115574364
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name3-butoxy-N-(oxan-2-ylmethyl)propan-1-amine
SMILESCCCCOCCCNCC1CCCCO1
InChIInChI=1S/C13H27NO2/c1-2-3-9-15-10-6-8-14-12-13-7-4-5-11-16-13/h13-14H,2-12H2,1H3
InChIKeyXPCKHAFLKWDAKV-UHFFFAOYSA-N
XLogP2.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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

3-ethoxy-N-(oxan-2-ylmethyl)propan-1-amine
CID 43403648
N-(oxolan-2-ylmethyl)-2-undecoxyethanamine
CID 22091535
3-ethoxy-N-(oxolan-2-ylmethyl)propan-1-amine
CID 43180080
N-(oxan-2-ylmethyl)propan-1-amine
CID 13288217
N-butyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54806845
N-ethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 62834649
2-(2-butoxyphenoxy)-N-(oxolan-2-ylmethyl)ethanamine;hydrochloride
CID 2995705
N-ethyl-5-(oxan-2-ylmethoxy)pentan-1-amine
CID 62446418
4-bromo-N-(oxan-2-ylmethyl)butan-1-amine
CID 106844706
N-(cyclopentylmethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 62070862
2-butoxy-N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 61483218
3-(2,2-difluoroethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 103208032

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-(oxan-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-butoxy-N-(oxan-2-ylmethyl)propan-1-amine (CID 115574364) is 3-butoxy-N-(oxan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-butoxy-N-(oxan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-butoxy-N-(oxan-2-ylmethyl)propan-1-amine is CCCCOCCCNCC1CCCCO1.
What is the InChIKey of 3-butoxy-N-(oxan-2-ylmethyl)propan-1-amine?
The InChIKey is XPCKHAFLKWDAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-2-3-9-15-10-6-8-14-12-13-7-4-5-11-16-13/h13-14H,2-12H2,1H3.
What are the key properties of 3-butoxy-N-(oxan-2-ylmethyl)propan-1-amine?
3-butoxy-N-(oxan-2-ylmethyl)propan-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.35, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-(oxan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 115574364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).