3-(2-methylpentoxy)oxan-4-amine

C11H23NO2 — CID 103283394

IUPAC3-(2-methylpentoxy)oxan-4-amine
SMILESCCCC(C)COC1COCCC1N
InChIInChI=1S/C11H23NO2/c1-3-4-9(2)7-14-11-8-13-6-5-10(11)12/h9-11H,3-8,12H2,1-2H3
InChIKeyPSBKDSDDORDEHH-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.56
Rot. Bonds5

About 3-(2-methylpentoxy)oxan-4-amine

3-(2-methylpentoxy)oxan-4-amine (PubChem CID 103283394) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-(2-methylpentoxy)oxan-4-amine.

Molecular Properties

Compound Name3-(2-methylpentoxy)oxan-4-amine
PubChem CID103283394
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-(2-methylpentoxy)oxan-4-amine
SMILESCCCC(C)COC1COCCC1N
InChIInChI=1S/C11H23NO2/c1-3-4-9(2)7-14-11-8-13-6-5-10(11)12/h9-11H,3-8,12H2,1-2H3
InChIKeyPSBKDSDDORDEHH-UHFFFAOYSA-N
XLogP1.56
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-3-methoxyoxan-4-amine;hydrochloride
CID 122235837
1-bromo-2-(2-methylpentoxy)cyclohexane
CID 103285067
1-iodo-2-(2-methylpentoxy)cyclooctane
CID 103285146
3-(3-methoxy-3-methylbutoxy)oxan-4-amine
CID 106665295
2-[(2R)-2-methylpentoxy]oxane
CID 57327472
2-(2-methylpentoxy)cyclododecan-1-ol
CID 103284744
2-methyl-3-(oxolan-3-yloxy)-N-propylpropan-1-amine
CID 103074792
(1S,2R,4R,5R)-3,6-bis(2-methylpentoxy)cyclohexane-1,2,4,5-tetrol
CID 163839559
3-phenylmethoxyoxan-4-amine;hydrochloride
CID 154733293
3-N,3-N-bis(3-methylbutyl)oxane-3,4-diamine
CID 107869710
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)oxan-4-amine
CID 102721958
1-(oxolan-3-yl)butan-1-amine
CID 63564938

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpentoxy)oxan-4-amine?
The IUPAC name of 3-(2-methylpentoxy)oxan-4-amine (CID 103283394) is 3-(2-methylpentoxy)oxan-4-amine.
What is the SMILES notation for 3-(2-methylpentoxy)oxan-4-amine?
The canonical SMILES for 3-(2-methylpentoxy)oxan-4-amine is CCCC(C)COC1COCCC1N.
What is the InChIKey of 3-(2-methylpentoxy)oxan-4-amine?
The InChIKey is PSBKDSDDORDEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-3-4-9(2)7-14-11-8-13-6-5-10(11)12/h9-11H,3-8,12H2,1-2H3.
What are the key properties of 3-(2-methylpentoxy)oxan-4-amine?
3-(2-methylpentoxy)oxan-4-amine has a molecular weight of 201.31 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpentoxy)oxan-4-amine is sourced from PubChem (CID 103283394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).