1-(2-methyloxan-2-yl)-N-propylprop-2-en-1-amine

C12H23NO — CID 80683306

IUPAC1-(2-methyloxan-2-yl)-N-propylprop-2-en-1-amine
SMILESC=CC(NCCC)C1(C)CCCCO1
InChIInChI=1S/C12H23NO/c1-4-9-13-11(5-2)12(3)8-6-7-10-14-12/h5,11,13H,2,4,6-10H2,1,3H3
InChIKeySJSWZIQHECGDFU-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.50
Rot. Bonds5

About 1-(2-methyloxan-2-yl)-N-propylprop-2-en-1-amine

1-(2-methyloxan-2-yl)-N-propylprop-2-en-1-amine (PubChem CID 80683306) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(2-methyloxan-2-yl)-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(2-methyloxan-2-yl)-N-propylprop-2-en-1-amine
PubChem CID80683306
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(2-methyloxan-2-yl)-N-propylprop-2-en-1-amine
SMILESC=CC(NCCC)C1(C)CCCCO1
InChIInChI=1S/C12H23NO/c1-4-9-13-11(5-2)12(3)8-6-7-10-14-12/h5,11,13H,2,4,6-10H2,1,3H3
InChIKeySJSWZIQHECGDFU-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyloxan-2-yl)-N-propylprop-2-en-1-amine?
The IUPAC name of 1-(2-methyloxan-2-yl)-N-propylprop-2-en-1-amine (CID 80683306) is 1-(2-methyloxan-2-yl)-N-propylprop-2-en-1-amine.
What is the SMILES notation for 1-(2-methyloxan-2-yl)-N-propylprop-2-en-1-amine?
The canonical SMILES for 1-(2-methyloxan-2-yl)-N-propylprop-2-en-1-amine is C=CC(NCCC)C1(C)CCCCO1.
What is the InChIKey of 1-(2-methyloxan-2-yl)-N-propylprop-2-en-1-amine?
The InChIKey is SJSWZIQHECGDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-9-13-11(5-2)12(3)8-6-7-10-14-12/h5,11,13H,2,4,6-10H2,1,3H3.
What are the key properties of 1-(2-methyloxan-2-yl)-N-propylprop-2-en-1-amine?
1-(2-methyloxan-2-yl)-N-propylprop-2-en-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyloxan-2-yl)-N-propylprop-2-en-1-amine is sourced from PubChem (CID 80683306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).