2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine

C14H23NO — CID 116661450

IUPAC2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine
SMILESCNC(CC1=CCCCC1)C1=COCCC1
InChIInChI=1S/C14H23NO/c1-15-14(13-8-5-9-16-11-13)10-12-6-3-2-4-7-12/h6,11,14-15H,2-5,7-10H2,1H3
InChIKeyHQOLESPGQZYZEV-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.16
Rot. Bonds4

About 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine

2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine (PubChem CID 116661450) 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-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine
PubChem CID116661450
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine
SMILESCNC(CC1=CCCCC1)C1=COCCC1
InChIInChI=1S/C14H23NO/c1-15-14(13-8-5-9-16-11-13)10-12-6-3-2-4-7-12/h6,11,14-15H,2-5,7-10H2,1H3
InChIKeyHQOLESPGQZYZEV-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

1-(3,4-dihydro-2H-pyran-5-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 104059227
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 104059228
1-(3,4-dihydro-2H-pyran-5-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 104059229
Ethane;6-methoxy-1,2,3,4,7,8-hexahydronaphthalen-1-amine
CID 155703717
4-(Cyclohexen-1-yl)-2-methoxy-6-methyl-1,2,3,6-tetrahydropyridine
CID 167247130
1-(cyclohexen-1-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 63014165
1-(cyclohexen-1-yl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 63953341
N-[2-(cyclohexen-1-yl)ethyl]-3-methoxycyclohexan-1-amine
CID 64092970
2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine
CID 102648049
2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylethanamine
CID 102648050
N-[2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]propan-1-amine
CID 102648051
1-(3,4-dihydro-2H-pyran-5-yl)-N,3-dimethylbutan-1-amine
CID 104058585

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine (CID 116661450) is 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine is CNC(CC1=CCCCC1)C1=COCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine?
The InChIKey is HQOLESPGQZYZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-15-14(13-8-5-9-16-11-13)10-12-6-3-2-4-7-12/h6,11,14-15H,2-5,7-10H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine?
2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-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-5-yl)-N-methylethanamine is sourced from PubChem (CID 116661450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).