3-(oxan-4-ylmethyl)but-3-en-1-amine

C10H19NO — CID 117268373

IUPAC3-(oxan-4-ylmethyl)but-3-en-1-amine
SMILESC=C(CCN)CC1CCOCC1
InChIInChI=1S/C10H19NO/c1-9(2-5-11)8-10-3-6-12-7-4-10/h10H,1-8,11H2
InChIKeyFZABLEJKRQJWDD-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.71
Rot. Bonds4

About 3-(oxan-4-ylmethyl)but-3-en-1-amine

3-(oxan-4-ylmethyl)but-3-en-1-amine (PubChem CID 117268373) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-(oxan-4-ylmethyl)but-3-en-1-amine.

Molecular Properties

Compound Name3-(oxan-4-ylmethyl)but-3-en-1-amine
PubChem CID117268373
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-(oxan-4-ylmethyl)but-3-en-1-amine
SMILESC=C(CCN)CC1CCOCC1
InChIInChI=1S/C10H19NO/c1-9(2-5-11)8-10-3-6-12-7-4-10/h10H,1-8,11H2
InChIKeyFZABLEJKRQJWDD-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
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

1-(Oxan-3-yl)but-3-en-1-amine
CID 65332347
1-(Oxan-4-yl)pent-4-en-1-amine
CID 65334221
1-(Oxan-4-yl)hex-5-en-1-amine
CID 65334907
3-Methylidene-1-(oxan-4-yl)pentan-1-amine
CID 66038049
3-Methylidene-1-(oxan-3-yl)pentan-1-amine
CID 66038289
2-Methyl-1-(oxan-4-yl)prop-2-en-1-amine
CID 79177961
2-Methyl-1-(oxan-3-yl)prop-2-en-1-amine
CID 79178834
3-Methyl-1-(oxan-3-yl)but-3-en-1-amine
CID 79184856
3-Methyl-1-(oxan-4-yl)but-3-en-1-amine
CID 79186536
4-Methyl-3-(oxan-4-yl)pent-3-en-1-amine
CID 83696777
1-(Oxan-4-yl)oct-7-en-1-amine
CID 107009205
4-Methyl-1-(oxan-4-yl)pent-4-en-1-amine
CID 114474933

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-ylmethyl)but-3-en-1-amine?
The IUPAC name of 3-(oxan-4-ylmethyl)but-3-en-1-amine (CID 117268373) is 3-(oxan-4-ylmethyl)but-3-en-1-amine.
What is the SMILES notation for 3-(oxan-4-ylmethyl)but-3-en-1-amine?
The canonical SMILES for 3-(oxan-4-ylmethyl)but-3-en-1-amine is C=C(CCN)CC1CCOCC1.
What is the InChIKey of 3-(oxan-4-ylmethyl)but-3-en-1-amine?
The InChIKey is FZABLEJKRQJWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2-5-11)8-10-3-6-12-7-4-10/h10H,1-8,11H2.
What are the key properties of 3-(oxan-4-ylmethyl)but-3-en-1-amine?
3-(oxan-4-ylmethyl)but-3-en-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-ylmethyl)but-3-en-1-amine is sourced from PubChem (CID 117268373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).