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

C13H21NO — CID 116661160

IUPAC2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)ethanamine
SMILESNC(CC1=CCCCC1)C1=COCCC1
InChIInChI=1S/C13H21NO/c14-13(12-7-4-8-15-10-12)9-11-5-2-1-3-6-11/h5,10,13H,1-4,6-9,14H2
InChIKeyMSSBCGRGMKHZSO-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.90
Rot. Bonds3

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

2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)ethanamine (PubChem CID 116661160) 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-5-yl)ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)ethanamine
PubChem CID116661160
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)ethanamine
SMILESNC(CC1=CCCCC1)C1=COCCC1
InChIInChI=1S/C13H21NO/c14-13(12-7-4-8-15-10-12)9-11-5-2-1-3-6-11/h5,10,13H,1-4,6-9,14H2
InChIKeyMSSBCGRGMKHZSO-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'}

Analyze 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Methoxy-1,2,3,4,5,8-hexahydronaphthalen-1-amine
CID 53775110
2-methyl-4-[[(Z)-pent-1-enoxy]methyl]cyclohex-2-en-1-amine
CID 70892626
4-(3-Methoxypropyl)cyclohex-3-en-1-amine
CID 89131571
Ethane;6-methoxy-1,2,3,4,7,8-hexahydronaphthalen-1-amine
CID 155703717
1-(Cyclohexen-1-yl)-3-(oxan-2-yl)propan-1-amine
CID 63953140
3-(3-Methoxypropyl)cyclohex-2-en-1-amine
CID 65171746
3-(3-Methoxypropyl)cyclopent-2-en-1-amine
CID 65174931
3-(3-Ethoxypropyl)cyclohex-2-en-1-amine
CID 65178069
3-(3-Ethoxypropyl)cyclopent-2-en-1-amine
CID 65178122
2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
CID 102648048
2-(Cyclohexen-1-yl)-1-(2,3-dihydrofuran-5-yl)ethanamine
CID 102652175
1-(3,4-dihydro-2H-pyran-5-yl)propan-1-amine
CID 104058535

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)ethanamine (CID 116661160) is 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)ethanamine is NC(CC1=CCCCC1)C1=COCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)ethanamine?
The InChIKey is MSSBCGRGMKHZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c14-13(12-7-4-8-15-10-12)9-11-5-2-1-3-6-11/h5,10,13H,1-4,6-9,14H2.
What are the key properties of 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)ethanamine?
2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-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-5-yl)ethanamine is sourced from PubChem (CID 116661160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).