N-prop-2-enyloxan-3-amine

C8H15NO — CID 63363548

IUPACN-prop-2-enyloxan-3-amine
SMILESC=CCNC1CCCOC1
InChIInChI=1S/C8H15NO/c1-2-5-9-8-4-3-6-10-7-8/h2,8-9H,1,3-7H2
InChIKeyOLYXLWABPQAGCO-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.94
Rot. Bonds3

About N-prop-2-enyloxan-3-amine

N-prop-2-enyloxan-3-amine (PubChem CID 63363548) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-prop-2-enyloxan-3-amine.

Molecular Properties

Compound NameN-prop-2-enyloxan-3-amine
PubChem CID63363548
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-prop-2-enyloxan-3-amine
SMILESC=CCNC1CCCOC1
InChIInChI=1S/C8H15NO/c1-2-5-9-8-4-3-6-10-7-8/h2,8-9H,1,3-7H2
InChIKeyOLYXLWABPQAGCO-UHFFFAOYSA-N
XLogP0.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.94
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

N-prop-2-enyloxan-4-amine
CID 43608314
N-but-3-enyloxan-3-amine
CID 64313076
(3S)-5-N-[(E)-3-aminoprop-2-enyl]oxane-3,5-diamine
CID 126637047
(3S)-5-N-[(E)-3-(methylamino)prop-2-enyl]oxane-3,5-diamine
CID 126637051
3-But-3-enylmorpholine
CID 131027298
N-(2-bromoprop-2-enyl)oxan-3-amine
CID 63363457
N-(2-chloroprop-2-enyl)oxan-3-amine
CID 63363458
N-(2-methylprop-2-enyl)oxan-3-amine
CID 63363550
N-pent-4-enyloxan-3-amine
CID 64313077
1-methoxy-N-prop-2-enylpentan-2-amine
CID 64411155
N-(2-methylidenebutyl)oxan-3-amine
CID 66045235
N-(2-morpholin-3-ylethyl)-N-prop-2-enylprop-2-en-1-amine
CID 80423353

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyloxan-3-amine?
The IUPAC name of N-prop-2-enyloxan-3-amine (CID 63363548) is N-prop-2-enyloxan-3-amine.
What is the SMILES notation for N-prop-2-enyloxan-3-amine?
The canonical SMILES for N-prop-2-enyloxan-3-amine is C=CCNC1CCCOC1.
What is the InChIKey of N-prop-2-enyloxan-3-amine?
The InChIKey is OLYXLWABPQAGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-5-9-8-4-3-6-10-7-8/h2,8-9H,1,3-7H2.
What are the key properties of N-prop-2-enyloxan-3-amine?
N-prop-2-enyloxan-3-amine has a molecular weight of 141.21 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyloxan-3-amine is sourced from PubChem (CID 63363548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).