N-[2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]propan-1-amine

C16H27NO — CID 102648051

IUPACN-[2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1=CCCCC1)C1=CCCCO1
InChIInChI=1S/C16H27NO/c1-2-11-17-15(16-10-6-7-12-18-16)13-14-8-4-3-5-9-14/h8,10,15,17H,2-7,9,11-13H2,1H3
InChIKeyGEZIIJIVOWFWEW-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.94
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]propan-1-amine

N-[2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]propan-1-amine (PubChem CID 102648051) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]propan-1-amine
PubChem CID102648051
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-[2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1=CCCCC1)C1=CCCCO1
InChIInChI=1S/C16H27NO/c1-2-11-17-15(16-10-6-7-12-18-16)13-14-8-4-3-5-9-14/h8,10,15,17H,2-7,9,11-13H2,1H3
InChIKeyGEZIIJIVOWFWEW-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]propan-1-amine 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

N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102649634
1-(cyclohexen-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207503
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
2-(cyclohexen-1-yl)-N-(2-undecoxyethyl)ethanamine
CID 22091473
2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-(1,2,3,6-tetrahydropyridin-5-ylmethyl)ethanamine
CID 91214620
2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-methylethanamine
CID 91511846
N-[2-[(1E,4E)-2,5-dimethylcyclonona-1,4-dien-1-yl]oxyethyl]butan-2-amine
CID 129227850
N-[1-[(1Z)-2-butoxycyclodecen-1-yl]ethyl]butan-1-amine
CID 132148908
2-[4-(Cyclohexen-1-yl)butyl]morpholine
CID 141886133
N-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]ethanamine
CID 174559915
N-[2-(cyclohexen-1-yl)ethyl]-2-methoxycyclohexan-1-amine
CID 43766394

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]propan-1-amine (CID 102648051) is N-[2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]propan-1-amine is CCCNC(CC1=CCCCC1)C1=CCCCO1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]propan-1-amine?
The InChIKey is GEZIIJIVOWFWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-2-11-17-15(16-10-6-7-12-18-16)13-14-8-4-3-5-9-14/h8,10,15,17H,2-7,9,11-13H2,1H3.
What are the key properties of N-[2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]propan-1-amine?
N-[2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]propan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]propan-1-amine is sourced from PubChem (CID 102648051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).