N-cyclohex-3-en-1-yl-2-methyloxolan-3-amine

C11H19NO — CID 82718103

IUPACN-cyclohex-3-en-1-yl-2-methyloxolan-3-amine
SMILESCC1OCCC1NC1CC=CCC1
InChIInChI=1S/C11H19NO/c1-9-11(7-8-13-9)12-10-5-3-2-4-6-10/h2-3,9-12H,4-8H2,1H3
InChIKeyIFDXJYVJWQORQF-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.86
Rot. Bonds2

About N-cyclohex-3-en-1-yl-2-methyloxolan-3-amine

N-cyclohex-3-en-1-yl-2-methyloxolan-3-amine (PubChem CID 82718103) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-cyclohex-3-en-1-yl-2-methyloxolan-3-amine.

Molecular Properties

Compound NameN-cyclohex-3-en-1-yl-2-methyloxolan-3-amine
PubChem CID82718103
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-cyclohex-3-en-1-yl-2-methyloxolan-3-amine
SMILESCC1OCCC1NC1CC=CCC1
InChIInChI=1S/C11H19NO/c1-9-11(7-8-13-9)12-10-5-3-2-4-6-10/h2-3,9-12H,4-8H2,1H3
InChIKeyIFDXJYVJWQORQF-UHFFFAOYSA-N
XLogP1.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.86
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-cyclohex-3-en-1-yl-2-methyloxolan-3-amine?
The IUPAC name of N-cyclohex-3-en-1-yl-2-methyloxolan-3-amine (CID 82718103) is N-cyclohex-3-en-1-yl-2-methyloxolan-3-amine.
What is the SMILES notation for N-cyclohex-3-en-1-yl-2-methyloxolan-3-amine?
The canonical SMILES for N-cyclohex-3-en-1-yl-2-methyloxolan-3-amine is CC1OCCC1NC1CC=CCC1.
What is the InChIKey of N-cyclohex-3-en-1-yl-2-methyloxolan-3-amine?
The InChIKey is IFDXJYVJWQORQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9-11(7-8-13-9)12-10-5-3-2-4-6-10/h2-3,9-12H,4-8H2,1H3.
What are the key properties of N-cyclohex-3-en-1-yl-2-methyloxolan-3-amine?
N-cyclohex-3-en-1-yl-2-methyloxolan-3-amine has a molecular weight of 181.28 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-3-en-1-yl-2-methyloxolan-3-amine is sourced from PubChem (CID 82718103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).