N-(oxan-3-ylmethyl)-2-propoxyethanamine

C11H23NO2 — CID 106451725

IUPACN-(oxan-3-ylmethyl)-2-propoxyethanamine
SMILESCCCOCCNCC1CCCOC1
InChIInChI=1S/C11H23NO2/c1-2-6-13-8-5-12-9-11-4-3-7-14-10-11/h11-12H,2-10H2,1H3
InChIKeyRUKSCCYYWYNXEK-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.43
Rot. Bonds7

About N-(oxan-3-ylmethyl)-2-propoxyethanamine

N-(oxan-3-ylmethyl)-2-propoxyethanamine (PubChem CID 106451725) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N-(oxan-3-ylmethyl)-2-propoxyethanamine.

Molecular Properties

Compound NameN-(oxan-3-ylmethyl)-2-propoxyethanamine
PubChem CID106451725
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-(oxan-3-ylmethyl)-2-propoxyethanamine
SMILESCCCOCCNCC1CCCOC1
InChIInChI=1S/C11H23NO2/c1-2-6-13-8-5-12-9-11-4-3-7-14-10-11/h11-12H,2-10H2,1H3
InChIKeyRUKSCCYYWYNXEK-UHFFFAOYSA-N
XLogP1.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.43
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

2-(2-methylprop-2-enoxy)-N-(oxan-3-ylmethyl)ethanamine
CID 115908252
N-(cyclopentylmethyl)-2-(2-propoxyethoxy)ethanamine
CID 63686610
3-ethoxy-N-(oxan-3-ylmethyl)propan-1-amine
CID 63738389
2-[2-(2-butoxyethoxy)ethoxy]-N-(oxolan-3-ylmethyl)ethanamine
CID 104561873
N-(oxan-3-ylmethyl)butan-1-amine
CID 61020591
N-(oxan-3-ylmethyl)nonan-1-amine
CID 61020606
2-cyclopentyl-N-(oxan-3-ylmethyl)ethanamine
CID 63741099
1-cyclopentyl-N-(oxan-3-ylmethyl)methanamine
CID 61342622
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
N',N'-diethyl-N-[[(3R)-oxan-3-yl]methyl]ethane-1,2-diamine
CID 93449849
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248
2-(oxan-4-ylmethoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62582727

Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-ylmethyl)-2-propoxyethanamine?
The IUPAC name of N-(oxan-3-ylmethyl)-2-propoxyethanamine (CID 106451725) is N-(oxan-3-ylmethyl)-2-propoxyethanamine.
What is the SMILES notation for N-(oxan-3-ylmethyl)-2-propoxyethanamine?
The canonical SMILES for N-(oxan-3-ylmethyl)-2-propoxyethanamine is CCCOCCNCC1CCCOC1.
What is the InChIKey of N-(oxan-3-ylmethyl)-2-propoxyethanamine?
The InChIKey is RUKSCCYYWYNXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-2-6-13-8-5-12-9-11-4-3-7-14-10-11/h11-12H,2-10H2,1H3.
What are the key properties of N-(oxan-3-ylmethyl)-2-propoxyethanamine?
N-(oxan-3-ylmethyl)-2-propoxyethanamine has a molecular weight of 201.31 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-ylmethyl)-2-propoxyethanamine is sourced from PubChem (CID 106451725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).