3-(oxolan-2-ylmethyl)cyclohex-2-en-1-amine

C11H19NO — CID 65172053

IUPAC3-(oxolan-2-ylmethyl)cyclohex-2-en-1-amine
SMILESNC1C=C(CC2CCCO2)CCC1
InChIInChI=1S/C11H19NO/c12-10-4-1-3-9(7-10)8-11-5-2-6-13-11/h7,10-11H,1-6,8,12H2
InChIKeyBTXDPDYZXYCVQT-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.99
Rot. Bonds2

About 3-(oxolan-2-ylmethyl)cyclohex-2-en-1-amine

3-(oxolan-2-ylmethyl)cyclohex-2-en-1-amine (PubChem CID 65172053) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethyl)cyclohex-2-en-1-amine.

Molecular Properties

Compound Name3-(oxolan-2-ylmethyl)cyclohex-2-en-1-amine
PubChem CID65172053
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3-(oxolan-2-ylmethyl)cyclohex-2-en-1-amine
SMILESNC1C=C(CC2CCCO2)CCC1
InChIInChI=1S/C11H19NO/c12-10-4-1-3-9(7-10)8-11-5-2-6-13-11/h7,10-11H,1-6,8,12H2
InChIKeyBTXDPDYZXYCVQT-UHFFFAOYSA-N
XLogP1.99
TPSA35.25 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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[5-[2-(4-Fluorocyclohexa-1,3-dien-1-yl)ethyl]oxolan-2-yl]ethanamine
CID 70326449
3-[3-(2,2,2-Trifluoroethoxy)propyl]cyclohex-2-en-1-amine
CID 65172107
3-[3-(2,2,2-Trifluoroethoxy)propyl]cyclopent-2-en-1-amine
CID 65174408
2-[5-[2-(4-Methylcyclohexa-1,3-dien-1-yl)ethyl]oxolan-2-yl]ethanamine
CID 70326074
4-(3-Methoxypropyl)cyclohex-3-en-1-amine
CID 89131571
Cyclohepten-1-yl(oxolan-2-yl)methanamine
CID 62079084
Cyclopenten-1-yl(oxolan-2-yl)methanamine
CID 62079404
Cyclohexen-1-yl(oxolan-2-yl)methanamine
CID 62080509
Cyclohexen-1-yl(oxan-2-yl)methanamine
CID 62212632
Cyclopenten-1-yl(oxan-2-yl)methanamine
CID 62212812
1-(cyclopenten-1-yl)-N-methyl-1-(oxan-2-yl)methanamine
CID 62212813
Cyclohepten-1-yl(oxan-2-yl)methanamine
CID 62212992

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethyl)cyclohex-2-en-1-amine?
The IUPAC name of 3-(oxolan-2-ylmethyl)cyclohex-2-en-1-amine (CID 65172053) is 3-(oxolan-2-ylmethyl)cyclohex-2-en-1-amine.
What is the SMILES notation for 3-(oxolan-2-ylmethyl)cyclohex-2-en-1-amine?
The canonical SMILES for 3-(oxolan-2-ylmethyl)cyclohex-2-en-1-amine is NC1C=C(CC2CCCO2)CCC1.
What is the InChIKey of 3-(oxolan-2-ylmethyl)cyclohex-2-en-1-amine?
The InChIKey is BTXDPDYZXYCVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c12-10-4-1-3-9(7-10)8-11-5-2-6-13-11/h7,10-11H,1-6,8,12H2.
What are the key properties of 3-(oxolan-2-ylmethyl)cyclohex-2-en-1-amine?
3-(oxolan-2-ylmethyl)cyclohex-2-en-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethyl)cyclohex-2-en-1-amine is sourced from PubChem (CID 65172053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).