4-(2-methylprop-1-enyl)oxan-4-amine

C9H17NO — CID 167259061

IUPAC4-(2-methylprop-1-enyl)oxan-4-amine
SMILESCC(C)=CC1(N)CCOCC1
InChIInChI=1S/C9H17NO/c1-8(2)7-9(10)3-5-11-6-4-9/h7H,3-6,10H2,1-2H3
InChIKeyBJPSKOGKSCOTCR-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.46
Rot. Bonds1

About 4-(2-methylprop-1-enyl)oxan-4-amine

4-(2-methylprop-1-enyl)oxan-4-amine (PubChem CID 167259061) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-(2-methylprop-1-enyl)oxan-4-amine.

Molecular Properties

Compound Name4-(2-methylprop-1-enyl)oxan-4-amine
PubChem CID167259061
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-(2-methylprop-1-enyl)oxan-4-amine
SMILESCC(C)=CC1(N)CCOCC1
InChIInChI=1S/C9H17NO/c1-8(2)7-9(10)3-5-11-6-4-9/h7H,3-6,10H2,1-2H3
InChIKeyBJPSKOGKSCOTCR-UHFFFAOYSA-N
XLogP1.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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 4-(2-methylprop-1-enyl)oxan-4-amine?
The IUPAC name of 4-(2-methylprop-1-enyl)oxan-4-amine (CID 167259061) is 4-(2-methylprop-1-enyl)oxan-4-amine.
What is the SMILES notation for 4-(2-methylprop-1-enyl)oxan-4-amine?
The canonical SMILES for 4-(2-methylprop-1-enyl)oxan-4-amine is CC(C)=CC1(N)CCOCC1.
What is the InChIKey of 4-(2-methylprop-1-enyl)oxan-4-amine?
The InChIKey is BJPSKOGKSCOTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(2)7-9(10)3-5-11-6-4-9/h7H,3-6,10H2,1-2H3.
What are the key properties of 4-(2-methylprop-1-enyl)oxan-4-amine?
4-(2-methylprop-1-enyl)oxan-4-amine has a molecular weight of 155.24 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylprop-1-enyl)oxan-4-amine is sourced from PubChem (CID 167259061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).