N-(cyclohexen-1-ylmethyl)oxolan-3-amine

C11H19NO — CID 131114936

IUPACN-(cyclohexen-1-ylmethyl)oxolan-3-amine
SMILESC1=C(CNC2CCOC2)CCCC1
InChIInChI=1S/C11H19NO/c1-2-4-10(5-3-1)8-12-11-6-7-13-9-11/h4,11-12H,1-3,5-9H2
InChIKeySOLSYIPOAQXYED-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.87
Rot. Bonds3

About N-(cyclohexen-1-ylmethyl)oxolan-3-amine

N-(cyclohexen-1-ylmethyl)oxolan-3-amine (PubChem CID 131114936) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-(cyclohexen-1-ylmethyl)oxolan-3-amine.

Molecular Properties

Compound NameN-(cyclohexen-1-ylmethyl)oxolan-3-amine
PubChem CID131114936
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-(cyclohexen-1-ylmethyl)oxolan-3-amine
SMILESC1=C(CNC2CCOC2)CCCC1
InChIInChI=1S/C11H19NO/c1-2-4-10(5-3-1)8-12-11-6-7-13-9-11/h4,11-12H,1-3,5-9H2
InChIKeySOLSYIPOAQXYED-UHFFFAOYSA-N
XLogP1.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.87
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 N-(cyclohexen-1-ylmethyl)oxolan-3-amine?
The IUPAC name of N-(cyclohexen-1-ylmethyl)oxolan-3-amine (CID 131114936) is N-(cyclohexen-1-ylmethyl)oxolan-3-amine.
What is the SMILES notation for N-(cyclohexen-1-ylmethyl)oxolan-3-amine?
The canonical SMILES for N-(cyclohexen-1-ylmethyl)oxolan-3-amine is C1=C(CNC2CCOC2)CCCC1.
What is the InChIKey of N-(cyclohexen-1-ylmethyl)oxolan-3-amine?
The InChIKey is SOLSYIPOAQXYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-4-10(5-3-1)8-12-11-6-7-13-9-11/h4,11-12H,1-3,5-9H2.
What are the key properties of N-(cyclohexen-1-ylmethyl)oxolan-3-amine?
N-(cyclohexen-1-ylmethyl)oxolan-3-amine has a molecular weight of 181.28 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-ylmethyl)oxolan-3-amine is sourced from PubChem (CID 131114936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).