2-(2-methylpentoxy)-N-(oxolan-2-ylmethyl)ethanamine

C13H27NO2 — CID 103285818

IUPAC2-(2-methylpentoxy)-N-(oxolan-2-ylmethyl)ethanamine
SMILESCCCC(C)COCCNCC1CCCO1
InChIInChI=1S/C13H27NO2/c1-3-5-12(2)11-15-9-7-14-10-13-6-4-8-16-13/h12-14H,3-11H2,1-2H3
InChIKeyUYVWCEJFAYIIGJ-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.21
Rot. Bonds9

About 2-(2-methylpentoxy)-N-(oxolan-2-ylmethyl)ethanamine

2-(2-methylpentoxy)-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 103285818) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-(2-methylpentoxy)-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-methylpentoxy)-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID103285818
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-(2-methylpentoxy)-N-(oxolan-2-ylmethyl)ethanamine
SMILESCCCC(C)COCCNCC1CCCO1
InChIInChI=1S/C13H27NO2/c1-3-5-12(2)11-15-9-7-14-10-13-6-4-8-16-13/h12-14H,3-11H2,1-2H3
InChIKeyUYVWCEJFAYIIGJ-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
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

(2R)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]pentan-1-amine
CID 28619216
N-(oxolan-2-ylmethyl)-2-undecoxyethanamine
CID 22091535
3-ethoxy-N-(oxolan-2-ylmethyl)propan-1-amine
CID 43180080
3-(2,2-difluoroethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 103208032
2-(3-methylbutan-2-ylsulfanyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 107757225
N-(oxolan-2-ylmethyl)-2-(3,3,3-trifluoropropoxy)ethanamine
CID 82957862
3-butoxy-N-(oxan-2-ylmethyl)propan-1-amine
CID 115574364
2-(2-cyclobutylethoxy)-N-(oxolan-2-ylmethyl)ethanamine
CID 106206326
N-(oxan-2-ylmethyl)propan-1-amine
CID 13288217
2-(oxolan-2-yl)-N-(2-propoxyethyl)ethanamine
CID 106451738
N-butyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54806845
3-ethoxy-N-(oxan-2-ylmethyl)propan-1-amine
CID 43403648

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpentoxy)-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of 2-(2-methylpentoxy)-N-(oxolan-2-ylmethyl)ethanamine (CID 103285818) is 2-(2-methylpentoxy)-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-methylpentoxy)-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-methylpentoxy)-N-(oxolan-2-ylmethyl)ethanamine is CCCC(C)COCCNCC1CCCO1.
What is the InChIKey of 2-(2-methylpentoxy)-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is UYVWCEJFAYIIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-3-5-12(2)11-15-9-7-14-10-13-6-4-8-16-13/h12-14H,3-11H2,1-2H3.
What are the key properties of 2-(2-methylpentoxy)-N-(oxolan-2-ylmethyl)ethanamine?
2-(2-methylpentoxy)-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 229.36 g/mol, XLogP of 2.21, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpentoxy)-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 103285818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).