N-[1-(oxolan-2-yl)ethyl]cyclohex-2-en-1-amine

C12H21NO — CID 104531391

IUPACN-[1-(oxolan-2-yl)ethyl]cyclohex-2-en-1-amine
SMILESCC(NC1C=CCCC1)C1CCCO1
InChIInChI=1S/C12H21NO/c1-10(12-8-5-9-14-12)13-11-6-3-2-4-7-11/h3,6,10-13H,2,4-5,7-9H2,1H3
InChIKeyWFRUQXSLEJYLPF-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.25
Rot. Bonds3

About N-[1-(oxolan-2-yl)ethyl]cyclohex-2-en-1-amine

N-[1-(oxolan-2-yl)ethyl]cyclohex-2-en-1-amine (PubChem CID 104531391) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[1-(oxolan-2-yl)ethyl]cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-[1-(oxolan-2-yl)ethyl]cyclohex-2-en-1-amine
PubChem CID104531391
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-[1-(oxolan-2-yl)ethyl]cyclohex-2-en-1-amine
SMILESCC(NC1C=CCCC1)C1CCCO1
InChIInChI=1S/C12H21NO/c1-10(12-8-5-9-14-12)13-11-6-3-2-4-7-11/h3,6,10-13H,2,4-5,7-9H2,1H3
InChIKeyWFRUQXSLEJYLPF-UHFFFAOYSA-N
XLogP2.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.25
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

N-[1-(oxolan-2-yl)ethyl]bicyclo[3.1.0]hexan-3-amine
CID 130791757
4-[1-(oxolan-2-yl)ethylamino]oxolan-3-ol
CID 60910566
4-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1,4-diamine
CID 79725148
N-(4-methylpent-1-yn-3-yl)cyclohex-2-en-1-amine
CID 130481453
N-(oxolan-2-ylmethyl)cyclohex-2-en-1-amine
CID 107906466
N-(1-phenylethyl)cyclohex-2-en-1-amine
CID 103846518
2,2-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,3-dioxan-5-amine
CID 104585187
3,3,5,5-tetramethyl-N-[1-(oxolan-2-yl)ethyl]cyclohexan-1-amine
CID 112681915
N-(cyclohex-3-en-1-ylmethyl)-1-(oxolan-2-yl)ethanamine
CID 43208618
(1R)-N-methyl-1-[(2S)-oxan-2-yl]ethanamine
CID 144712346
1-[1-(oxolan-2-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol
CID 43637115
N-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclohex-2-en-1-amine
CID 104579144

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-yl)ethyl]cyclohex-2-en-1-amine?
The IUPAC name of N-[1-(oxolan-2-yl)ethyl]cyclohex-2-en-1-amine (CID 104531391) is N-[1-(oxolan-2-yl)ethyl]cyclohex-2-en-1-amine.
What is the SMILES notation for N-[1-(oxolan-2-yl)ethyl]cyclohex-2-en-1-amine?
The canonical SMILES for N-[1-(oxolan-2-yl)ethyl]cyclohex-2-en-1-amine is CC(NC1C=CCCC1)C1CCCO1.
What is the InChIKey of N-[1-(oxolan-2-yl)ethyl]cyclohex-2-en-1-amine?
The InChIKey is WFRUQXSLEJYLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-10(12-8-5-9-14-12)13-11-6-3-2-4-7-11/h3,6,10-13H,2,4-5,7-9H2,1H3.
What are the key properties of N-[1-(oxolan-2-yl)ethyl]cyclohex-2-en-1-amine?
N-[1-(oxolan-2-yl)ethyl]cyclohex-2-en-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-yl)ethyl]cyclohex-2-en-1-amine is sourced from PubChem (CID 104531391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).