N-[1-(cyclohexen-1-yl)-2-cyclohexyl-2-ethoxyethyl]propan-1-amine

C19H35NO — CID 106654715

IUPACN-[1-(cyclohexen-1-yl)-2-cyclohexyl-2-ethoxyethyl]propan-1-amine
SMILESCCCNC(C1=CCCCC1)C(OCC)C1CCCCC1
InChIInChI=1S/C19H35NO/c1-3-15-20-18(16-11-7-5-8-12-16)19(21-4-2)17-13-9-6-10-14-17/h11,17-20H,3-10,12-15H2,1-2H3
InChIKeyHXSZXUBEVWGLMD-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.84
Rot. Bonds8

About N-[1-(cyclohexen-1-yl)-2-cyclohexyl-2-ethoxyethyl]propan-1-amine

N-[1-(cyclohexen-1-yl)-2-cyclohexyl-2-ethoxyethyl]propan-1-amine (PubChem CID 106654715) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is N-[1-(cyclohexen-1-yl)-2-cyclohexyl-2-ethoxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(cyclohexen-1-yl)-2-cyclohexyl-2-ethoxyethyl]propan-1-amine
PubChem CID106654715
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC NameN-[1-(cyclohexen-1-yl)-2-cyclohexyl-2-ethoxyethyl]propan-1-amine
SMILESCCCNC(C1=CCCCC1)C(OCC)C1CCCCC1
InChIInChI=1S/C19H35NO/c1-3-15-20-18(16-11-7-5-8-12-16)19(21-4-2)17-13-9-6-10-14-17/h11,17-20H,3-10,12-15H2,1-2H3
InChIKeyHXSZXUBEVWGLMD-UHFFFAOYSA-N
XLogP4.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[1-(cyclohexen-1-yl)-2-cyclohexyl-2-ethoxyethyl]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

6-(2-Fluorocyclohexa-2,4-dien-1-yl)-2-hepta-3,5-dien-3-yl-8-methoxy-4-methyl-1,2,3,7,8,8a-hexahydroquinoline
CID 123251304
4-Fluoro-2-[6-(2-methylprop-1-enyl)oxan-2-yl]-4-(2-methylpropyl)piperidine
CID 146488690
N-[3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 102648859
N-[3,4-dihydro-2H-pyran-6-yl-[4-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 102648887
N-[3,4-dihydro-2H-pyran-6-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 102648944
N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102649634
N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine
CID 113720622
3,3-Di(cyclohexen-1-yl)morpholine
CID 57287098
6-Cyclohexyl-2-[[4-(methoxymethyl)-2,6-dimethylcyclohexa-1,5-dien-1-yl]methyl]-1,2,3,6-tetrahydropyridin-5-ol
CID 70841930
N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)oxy]ethyl]-3,7,11-trimethyldodeca-2,6,10-trien-1-amine
CID 123544106
N-(cyclohexa-1,3-dien-1-ylmethyl)-2-[(8E,10E)-hexadeca-8,10-dienoxy]-3,13,15-trimethylicosan-1-amine
CID 134388035
(2R,3R,5S,6S)-N-buta-1,3-dien-2-yl-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-amine
CID 134550383

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexen-1-yl)-2-cyclohexyl-2-ethoxyethyl]propan-1-amine?
The IUPAC name of N-[1-(cyclohexen-1-yl)-2-cyclohexyl-2-ethoxyethyl]propan-1-amine (CID 106654715) is N-[1-(cyclohexen-1-yl)-2-cyclohexyl-2-ethoxyethyl]propan-1-amine.
What is the SMILES notation for N-[1-(cyclohexen-1-yl)-2-cyclohexyl-2-ethoxyethyl]propan-1-amine?
The canonical SMILES for N-[1-(cyclohexen-1-yl)-2-cyclohexyl-2-ethoxyethyl]propan-1-amine is CCCNC(C1=CCCCC1)C(OCC)C1CCCCC1.
What is the InChIKey of N-[1-(cyclohexen-1-yl)-2-cyclohexyl-2-ethoxyethyl]propan-1-amine?
The InChIKey is HXSZXUBEVWGLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c1-3-15-20-18(16-11-7-5-8-12-16)19(21-4-2)17-13-9-6-10-14-17/h11,17-20H,3-10,12-15H2,1-2H3.
What are the key properties of N-[1-(cyclohexen-1-yl)-2-cyclohexyl-2-ethoxyethyl]propan-1-amine?
N-[1-(cyclohexen-1-yl)-2-cyclohexyl-2-ethoxyethyl]propan-1-amine has a molecular weight of 293.50 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexen-1-yl)-2-cyclohexyl-2-ethoxyethyl]propan-1-amine is sourced from PubChem (CID 106654715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).