N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine

C10H19NO — CID 103914800

IUPACN-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine
SMILESC=CCNC(C)C1CCOCC1
InChIInChI=1S/C10H19NO/c1-3-6-11-9(2)10-4-7-12-8-5-10/h3,9-11H,1,4-8H2,2H3
InChIKeyWLBFOQLPIKROCO-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.58
Rot. Bonds4

About N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine

N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine (PubChem CID 103914800) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine
PubChem CID103914800
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine
SMILESC=CCNC(C)C1CCOCC1
InChIInChI=1S/C10H19NO/c1-3-6-11-9(2)10-4-7-12-8-5-10/h3,9-11H,1,4-8H2,2H3
InChIKeyWLBFOQLPIKROCO-UHFFFAOYSA-N
XLogP1.58
TPSA21.26 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 ≤ 51.58
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-[1-(oxan-4-yl)ethylamino]-N-prop-2-enylacetamide
CID 75483160
N-[1-(oxan-4-yl)ethyl]pent-4-en-2-amine
CID 115890310
4-[1-(oxan-4-yl)ethylamino]butan-2-ol
CID 115720280
N-(2-methylsulfanylethyl)-1-(oxan-4-yl)ethanamine
CID 115706242
N-[(2-methylcyclopropyl)methyl]-1-(oxan-4-yl)ethanamine
CID 115713106
N-(2-cyclobutylethyl)-1-(oxan-4-yl)ethanamine
CID 115893382
1-(oxolan-3-yl)-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 115889049
2,2-dimethyl-4-[1-(oxan-4-yl)ethylamino]butanenitrile
CID 103925508
[1-[[1-(oxan-4-yl)ethylamino]methyl]cyclohexyl]methanol
CID 103903221
4-methyl-1-[1-(oxan-4-yl)ethylamino]pentan-3-ol
CID 115723515
N-(2-cyclohexylethyl)-1-(oxan-4-yl)ethanamine
CID 113260043
1-[[1-(oxan-4-yl)ethylamino]methyl]cyclopentan-1-ol
CID 115719665

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine?
The IUPAC name of N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine (CID 103914800) is N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine.
What is the SMILES notation for N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine?
The canonical SMILES for N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine is C=CCNC(C)C1CCOCC1.
What is the InChIKey of N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine?
The InChIKey is WLBFOQLPIKROCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-6-11-9(2)10-4-7-12-8-5-10/h3,9-11H,1,4-8H2,2H3.
What are the key properties of N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine?
N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 103914800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).