3-(oxan-2-ylmethyl)but-3-en-1-amine

C10H19NO — CID 117268652

IUPAC3-(oxan-2-ylmethyl)but-3-en-1-amine
SMILESC=C(CCN)CC1CCCCO1
InChIInChI=1S/C10H19NO/c1-9(5-6-11)8-10-4-2-3-7-12-10/h10H,1-8,11H2
InChIKeyUOSCTABQWKMEFQ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.85
Rot. Bonds4

About 3-(oxan-2-ylmethyl)but-3-en-1-amine

3-(oxan-2-ylmethyl)but-3-en-1-amine (PubChem CID 117268652) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-(oxan-2-ylmethyl)but-3-en-1-amine.

Molecular Properties

Compound Name3-(oxan-2-ylmethyl)but-3-en-1-amine
PubChem CID117268652
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-(oxan-2-ylmethyl)but-3-en-1-amine
SMILESC=C(CCN)CC1CCCCO1
InChIInChI=1S/C10H19NO/c1-9(5-6-11)8-10-4-2-3-7-12-10/h10H,1-8,11H2
InChIKeyUOSCTABQWKMEFQ-UHFFFAOYSA-N
XLogP1.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(oxolan-2-ylmethyl)prop-2-en-1-ol
CID 117266681
oxan-2-ylmethyl 3-aminopropanoate
CID 61279646
5-methyl-1-(oxan-2-yl)hex-5-en-2-one
CID 114473726
2-[(2R)-oxan-2-yl]acetic acid
CID 6556828
2-[[(2R)-oxolan-2-yl]methyl]prop-2-enamide
CID 166002219
N-(3-aminopropyl)-N-cyclobutyl-2-(oxan-2-yl)acetamide
CID 102873969
(2R)-2-(2-fluoroprop-2-enyl)oxolane
CID 163469182
2-[(2S)-oxolan-2-yl]acetamide
CID 89422838
oxolan-2-ylmethyl 3-aminopropanoate
CID 22321347
methyl 3-(oxolan-2-ylmethyl)but-3-enoate
CID 117268632
ethyl 2-(oxepan-2-yl)acetate
CID 14174537
[(2S)-oxan-2-yl]methanol
CID 6950811

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-ylmethyl)but-3-en-1-amine?
The IUPAC name of 3-(oxan-2-ylmethyl)but-3-en-1-amine (CID 117268652) is 3-(oxan-2-ylmethyl)but-3-en-1-amine.
What is the SMILES notation for 3-(oxan-2-ylmethyl)but-3-en-1-amine?
The canonical SMILES for 3-(oxan-2-ylmethyl)but-3-en-1-amine is C=C(CCN)CC1CCCCO1.
What is the InChIKey of 3-(oxan-2-ylmethyl)but-3-en-1-amine?
The InChIKey is UOSCTABQWKMEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(5-6-11)8-10-4-2-3-7-12-10/h10H,1-8,11H2.
What are the key properties of 3-(oxan-2-ylmethyl)but-3-en-1-amine?
3-(oxan-2-ylmethyl)but-3-en-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-ylmethyl)but-3-en-1-amine is sourced from PubChem (CID 117268652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).