N-[cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine

C19H37NO — CID 116768449

IUPACN-[cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(C1CCCCCC1)C1(OCC)CCCC(C)C1
InChIInChI=1S/C19H37NO/c1-4-20-18(17-12-8-6-7-9-13-17)19(21-5-2)14-10-11-16(3)15-19/h16-18,20H,4-15H2,1-3H3
InChIKeyWSLXROYWNQBHSD-UHFFFAOYSA-N
MW295.51 g/mol
LogP4.92
Rot. Bonds6

About N-[cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine

N-[cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine (PubChem CID 116768449) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is N-[cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine
PubChem CID116768449
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC NameN-[cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(C1CCCCCC1)C1(OCC)CCCC(C)C1
InChIInChI=1S/C19H37NO/c1-4-20-18(17-12-8-6-7-9-13-17)19(21-5-2)14-10-11-16(3)15-19/h16-18,20H,4-15H2,1-3H3
InChIKeyWSLXROYWNQBHSD-UHFFFAOYSA-N
XLogP4.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methyl]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

N-[cyclohexyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine
CID 116768366
N-[cyclohexyl-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
CID 116768830
N-[cyclohexyl-(4-ethoxyoxan-4-yl)methyl]ethanamine
CID 116765789
cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methanamine
CID 116768145
N-[cyclopropyl-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine
CID 116767361
2-cyclohexyl-1-(1-ethoxy-3-methylcyclohexyl)ethanol
CID 116755222
N-[(3,4-dimethylcyclohexyl)-(1-ethoxycyclohexyl)methyl]ethanamine
CID 116764131
1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-5-methylhexan-1-amine
CID 116768455
N-[(1-ethoxy-3-methylcyclohexyl)-(oxolan-3-yl)methyl]propan-1-amine
CID 116768503
cyclopropyl-(1-ethoxy-3-methylcyclohexyl)methanol
CID 116755285
1-(1-ethoxy-3-methylcyclohexyl)-2-ethylbutan-1-amine
CID 116768094
2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116767988

Frequently Asked Questions

What is the IUPAC name of N-[cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine (CID 116768449) is N-[cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine is CCNC(C1CCCCCC1)C1(OCC)CCCC(C)C1.
What is the InChIKey of N-[cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine?
The InChIKey is WSLXROYWNQBHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-4-20-18(17-12-8-6-7-9-13-17)19(21-5-2)14-10-11-16(3)15-19/h16-18,20H,4-15H2,1-3H3.
What are the key properties of N-[cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine?
N-[cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine has a molecular weight of 295.51 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 116768449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).