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

C13H21NO — CID 102648048

IUPAC2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
SMILESNC(CC1=CCCCC1)C1=CCCCO1
InChIInChI=1S/C13H21NO/c14-12(13-8-4-5-9-15-13)10-11-6-2-1-3-7-11/h6,8,12H,1-5,7,9-10,14H2
InChIKeyZWEHPOHWTVQLCA-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.90
Rot. Bonds3

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

2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine (PubChem CID 102648048) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
PubChem CID102648048
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
SMILESNC(CC1=CCCCC1)C1=CCCCO1
InChIInChI=1S/C13H21NO/c14-12(13-8-4-5-9-15-13)10-11-6-2-1-3-7-11/h6,8,12H,1-5,7,9-10,14H2
InChIKeyZWEHPOHWTVQLCA-UHFFFAOYSA-N
XLogP2.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.90
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

(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102649150
1-(Cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207498
6-Methoxy-1,2,3,4,5,8-hexahydronaphthalen-1-amine
CID 53775110
3,4,4a,5,6,7,8,9-octahydro-2H-xanthen-4-amine
CID 66682771
5-(Cyclohexen-1-yl)-3-methoxypentane-1,4-diamine
CID 67562607
4-(3-Methoxypropyl)cyclohex-3-en-1-amine
CID 89131571
2-Cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethanamine
CID 91214374
5-Cyclohexa-1,3-dien-1-yl-2-methoxycyclohexa-2,4-dien-1-amine
CID 123779423
(Z)-4-methoxytridec-3-en-5-amine
CID 143745204
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

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine (CID 102648048) is 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine is NC(CC1=CCCCC1)C1=CCCCO1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine?
The InChIKey is ZWEHPOHWTVQLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c14-12(13-8-4-5-9-15-13)10-11-6-2-1-3-7-11/h6,8,12H,1-5,7,9-10,14H2.
What are the key properties of 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine?
2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.90, 3 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)ethanamine is sourced from PubChem (CID 102648048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).