N-(4-methoxybutyl)oxolan-3-amine

C9H19NO2 — CID 63335646

IUPACN-(4-methoxybutyl)oxolan-3-amine
SMILESCOCCCCNC1CCOC1
InChIInChI=1S/C9H19NO2/c1-11-6-3-2-5-10-9-4-7-12-8-9/h9-10H,2-8H2,1H3
InChIKeyOMLNOPQTYLIZAG-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.79
Rot. Bonds6

About N-(4-methoxybutyl)oxolan-3-amine

N-(4-methoxybutyl)oxolan-3-amine (PubChem CID 63335646) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-(4-methoxybutyl)oxolan-3-amine.

Molecular Properties

Compound NameN-(4-methoxybutyl)oxolan-3-amine
PubChem CID63335646
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-(4-methoxybutyl)oxolan-3-amine
SMILESCOCCCCNC1CCOC1
InChIInChI=1S/C9H19NO2/c1-11-6-3-2-5-10-9-4-7-12-8-9/h9-10H,2-8H2,1H3
InChIKeyOMLNOPQTYLIZAG-UHFFFAOYSA-N
XLogP0.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.79
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-(2-methoxyethyl)oxolan-3-amine
CID 63331660
N-(4-iodobutyl)oxolan-3-amine
CID 106844615
N-(4-methoxybutyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79894953
N-(2-methoxyethyl)oxan-4-amine;hydrochloride
CID 110204327
N'-(oxolan-3-yl)propane-1,3-diamine
CID 63335365
N-(4,4-dimethylpentyl)oxolan-3-amine
CID 115689448
N-(5-methoxypentyl)cyclooctanamine
CID 115714847
N-(5-methoxypentyl)thian-4-amine
CID 103631860
N-(3-phenoxypropyl)oxolan-3-amine
CID 63335382
(3S)-N-[3-(3-methylcyclobutyl)propyl]oxolan-3-amine
CID 167310676
N-(5-methoxypentyl)thietan-3-amine
CID 135392195
5-methoxy-N-(oxan-4-ylmethyl)pentan-1-amine
CID 115685550

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutyl)oxolan-3-amine?
The IUPAC name of N-(4-methoxybutyl)oxolan-3-amine (CID 63335646) is N-(4-methoxybutyl)oxolan-3-amine.
What is the SMILES notation for N-(4-methoxybutyl)oxolan-3-amine?
The canonical SMILES for N-(4-methoxybutyl)oxolan-3-amine is COCCCCNC1CCOC1.
What is the InChIKey of N-(4-methoxybutyl)oxolan-3-amine?
The InChIKey is OMLNOPQTYLIZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-11-6-3-2-5-10-9-4-7-12-8-9/h9-10H,2-8H2,1H3.
What are the key properties of N-(4-methoxybutyl)oxolan-3-amine?
N-(4-methoxybutyl)oxolan-3-amine has a molecular weight of 173.26 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutyl)oxolan-3-amine is sourced from PubChem (CID 63335646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).