1-(2-methyloxan-2-yl)prop-2-en-1-amine

C9H17NO — CID 80685026

IUPAC1-(2-methyloxan-2-yl)prop-2-en-1-amine
SMILESC=CC(N)C1(C)CCCCO1
InChIInChI=1S/C9H17NO/c1-3-8(10)9(2)6-4-5-7-11-9/h3,8H,1,4-7,10H2,2H3
InChIKeyZQUDQXGGOKMCIH-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.46
Rot. Bonds2

About 1-(2-methyloxan-2-yl)prop-2-en-1-amine

1-(2-methyloxan-2-yl)prop-2-en-1-amine (PubChem CID 80685026) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-(2-methyloxan-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name1-(2-methyloxan-2-yl)prop-2-en-1-amine
PubChem CID80685026
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-(2-methyloxan-2-yl)prop-2-en-1-amine
SMILESC=CC(N)C1(C)CCCCO1
InChIInChI=1S/C9H17NO/c1-3-8(10)9(2)6-4-5-7-11-9/h3,8H,1,4-7,10H2,2H3
InChIKeyZQUDQXGGOKMCIH-UHFFFAOYSA-N
XLogP1.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.46
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)prop-2-en-1-amine?
The IUPAC name of 1-(2-methyloxan-2-yl)prop-2-en-1-amine (CID 80685026) is 1-(2-methyloxan-2-yl)prop-2-en-1-amine.
What is the SMILES notation for 1-(2-methyloxan-2-yl)prop-2-en-1-amine?
The canonical SMILES for 1-(2-methyloxan-2-yl)prop-2-en-1-amine is C=CC(N)C1(C)CCCCO1.
What is the InChIKey of 1-(2-methyloxan-2-yl)prop-2-en-1-amine?
The InChIKey is ZQUDQXGGOKMCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-8(10)9(2)6-4-5-7-11-9/h3,8H,1,4-7,10H2,2H3.
What are the key properties of 1-(2-methyloxan-2-yl)prop-2-en-1-amine?
1-(2-methyloxan-2-yl)prop-2-en-1-amine has a molecular weight of 155.24 g/mol, XLogP of 1.46, 2 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)prop-2-en-1-amine is sourced from PubChem (CID 80685026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).