N-[cyclohexen-1-yl(oxolan-2-yl)methyl]ethanamine

C13H23NO — CID 62078329

IUPACN-[cyclohexen-1-yl(oxolan-2-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCC1)C1CCCO1
InChIInChI=1S/C13H23NO/c1-2-14-13(12-9-6-10-15-12)11-7-4-3-5-8-11/h7,12-14H,2-6,8-10H2,1H3
InChIKeyPMFAJAOCGYHMKL-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.64
Rot. Bonds4

About N-[cyclohexen-1-yl(oxolan-2-yl)methyl]ethanamine

N-[cyclohexen-1-yl(oxolan-2-yl)methyl]ethanamine (PubChem CID 62078329) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-[cyclohexen-1-yl(oxolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclohexen-1-yl(oxolan-2-yl)methyl]ethanamine
PubChem CID62078329
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-[cyclohexen-1-yl(oxolan-2-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCC1)C1CCCO1
InChIInChI=1S/C13H23NO/c1-2-14-13(12-9-6-10-15-12)11-7-4-3-5-8-11/h7,12-14H,2-6,8-10H2,1H3
InChIKeyPMFAJAOCGYHMKL-UHFFFAOYSA-N
XLogP2.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.64
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-[cyclobutyl(cyclohexen-1-yl)methyl]ethanamine
CID 62079771
N-[cyclohepten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 66477455
cyclohepten-1-yl(oxolan-2-yl)methanol
CID 62078402
N-[cycloocten-1-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 106654312
N-[cyclohexen-1-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 106657478
N-[(3,5-difluorophenyl)-(oxolan-2-yl)methyl]ethanamine
CID 65328304
N-[oxolan-2-yl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine
CID 43490967
N-[(2,5-difluorophenyl)-(oxolan-2-yl)methyl]ethanamine
CID 43490214
N-[(5-fluoro-2-methylphenyl)-(oxolan-2-yl)methyl]ethanamine
CID 65328698
N-[(3-bromo-5-methylthiophen-2-yl)-(oxolan-2-yl)methyl]ethanamine
CID 65279468
N-[[(1E)-cycloocten-1-yl]-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine
CID 106653336
N-[cyclohexen-1-yl(oxan-4-yl)methyl]propan-1-amine
CID 55133142

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexen-1-yl(oxolan-2-yl)methyl]ethanamine?
The IUPAC name of N-[cyclohexen-1-yl(oxolan-2-yl)methyl]ethanamine (CID 62078329) is N-[cyclohexen-1-yl(oxolan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[cyclohexen-1-yl(oxolan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[cyclohexen-1-yl(oxolan-2-yl)methyl]ethanamine is CCNC(C1=CCCCC1)C1CCCO1.
What is the InChIKey of N-[cyclohexen-1-yl(oxolan-2-yl)methyl]ethanamine?
The InChIKey is PMFAJAOCGYHMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-14-13(12-9-6-10-15-12)11-7-4-3-5-8-11/h7,12-14H,2-6,8-10H2,1H3.
What are the key properties of N-[cyclohexen-1-yl(oxolan-2-yl)methyl]ethanamine?
N-[cyclohexen-1-yl(oxolan-2-yl)methyl]ethanamine has a molecular weight of 209.33 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexen-1-yl(oxolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 62078329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).