2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine

C14H23NO — CID 102648049

IUPAC2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine
SMILESCNC(CC1=CCCCC1)C1=CCCCO1
InChIInChI=1S/C14H23NO/c1-15-13(14-9-5-6-10-16-14)11-12-7-3-2-4-8-12/h7,9,13,15H,2-6,8,10-11H2,1H3
InChIKeyWJDWOKXBLNRYLS-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.16
Rot. Bonds4

About 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine

2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine (PubChem CID 102648049) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine
PubChem CID102648049
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine
SMILESCNC(CC1=CCCCC1)C1=CCCCO1
InChIInChI=1S/C14H23NO/c1-15-13(14-9-5-6-10-16-14)11-12-7-3-2-4-8-12/h7,9,13,15H,2-6,8,10-11H2,1H3
InChIKeyWJDWOKXBLNRYLS-UHFFFAOYSA-N
XLogP3.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.16
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-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102649634
1-(cyclohexen-1-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207501
1-(cyclohexen-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207503
1-(4,4-difluorocyclohexyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 113720496
N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine
CID 113720622
N-[1-(cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 113788173
1-(cyclohexen-1-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 113860666
1-(3,3-difluorocyclohexyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 114215980
2-(cyclohexen-1-yl)-N-(2-undecoxyethyl)ethanamine
CID 22091473
2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-methylethanamine
CID 91511846
5-Cyclohexa-1,3-dien-1-yl-2-methoxycyclohexa-2,4-dien-1-amine
CID 123779423
N-[2-[(1E,4E)-2,5-dimethylcyclonona-1,4-dien-1-yl]oxyethyl]butan-2-amine
CID 129227850

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine (CID 102648049) is 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine is CNC(CC1=CCCCC1)C1=CCCCO1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine?
The InChIKey is WJDWOKXBLNRYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-15-13(14-9-5-6-10-16-14)11-12-7-3-2-4-8-12/h7,9,13,15H,2-6,8,10-11H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine?
2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine has a molecular weight of 221.34 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine is sourced from PubChem (CID 102648049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).