2-methyl-N-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethyl)propan-1-amine

C11H19NO — CID 167286429

IUPAC2-methyl-N-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethyl)propan-1-amine
SMILESCC(C)CNCC1CC2C=CC1O2
InChIInChI=1S/C11H19NO/c1-8(2)6-12-7-9-5-10-3-4-11(9)13-10/h3-4,8-12H,5-7H2,1-2H3
InChIKeyNYRADGBTMIBIEX-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.58
Rot. Bonds4

About 2-methyl-N-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethyl)propan-1-amine

2-methyl-N-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethyl)propan-1-amine (PubChem CID 167286429) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-methyl-N-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethyl)propan-1-amine
PubChem CID167286429
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-methyl-N-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethyl)propan-1-amine
SMILESCC(C)CNCC1CC2C=CC1O2
InChIInChI=1S/C11H19NO/c1-8(2)6-12-7-9-5-10-3-4-11(9)13-10/h3-4,8-12H,5-7H2,1-2H3
InChIKeyNYRADGBTMIBIEX-UHFFFAOYSA-N
XLogP1.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-methyl-N-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethyl)propan-1-amine (CID 167286429) is 2-methyl-N-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-methyl-N-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethyl)propan-1-amine is CC(C)CNCC1CC2C=CC1O2.
What is the InChIKey of 2-methyl-N-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethyl)propan-1-amine?
The InChIKey is NYRADGBTMIBIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-8(2)6-12-7-9-5-10-3-4-11(9)13-10/h3-4,8-12H,5-7H2,1-2H3.
What are the key properties of 2-methyl-N-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethyl)propan-1-amine?
2-methyl-N-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethyl)propan-1-amine has a molecular weight of 181.28 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 2-methyl-N-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 167286429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).