cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methanamine

C17H33NO — CID 116768145

IUPACcycloheptyl-(1-ethoxy-3-methylcyclohexyl)methanamine
SMILESCCOC1(C(N)C2CCCCCC2)CCCC(C)C1
InChIInChI=1S/C17H33NO/c1-3-19-17(12-8-9-14(2)13-17)16(18)15-10-6-4-5-7-11-15/h14-16H,3-13,18H2,1-2H3
InChIKeyKSNGLRRBGVJFST-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.27
Rot. Bonds4

About cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methanamine

cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methanamine (PubChem CID 116768145) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methanamine.

Molecular Properties

Compound Namecycloheptyl-(1-ethoxy-3-methylcyclohexyl)methanamine
PubChem CID116768145
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Namecycloheptyl-(1-ethoxy-3-methylcyclohexyl)methanamine
SMILESCCOC1(C(N)C2CCCCCC2)CCCC(C)C1
InChIInChI=1S/C17H33NO/c1-3-19-17(12-8-9-14(2)13-17)16(18)15-10-6-4-5-7-11-15/h14-16H,3-13,18H2,1-2H3
InChIKeyKSNGLRRBGVJFST-UHFFFAOYSA-N
XLogP4.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methanamine 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

(1-ethoxy-3-methylcyclohexyl)-(4-methylcyclohexyl)methanamine
CID 116768084
(1-ethoxy-3-methylcyclohexyl)-(oxolan-3-yl)methanamine
CID 116768060
2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116767988
N-[cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine
CID 116768449
N-[cyclohexyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine
CID 116768366
1-(1-ethoxy-3-methylcyclohexyl)-2-ethylbutan-1-amine
CID 116768094
2-cyclohexyl-1-(1-ethoxy-3-methylcyclohexyl)ethanol
CID 116755222
1-(1-ethoxy-3-methylcyclohexyl)-2-methoxyethanamine
CID 116768089
cyclopropyl-(1-ethoxy-3-methylcyclohexyl)methanol
CID 116755285
cyclopentyl-(4-ethoxyoxan-4-yl)methanamine
CID 116765524
(1-ethoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methanamine
CID 116766990
1-(1-ethoxy-3-methylcyclohexyl)-2,2-dimethylpropan-1-ol
CID 116755351

Frequently Asked Questions

What is the IUPAC name of cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methanamine?
The IUPAC name of cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methanamine (CID 116768145) is cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methanamine.
What is the SMILES notation for cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methanamine?
The canonical SMILES for cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methanamine is CCOC1(C(N)C2CCCCCC2)CCCC(C)C1.
What is the InChIKey of cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methanamine?
The InChIKey is KSNGLRRBGVJFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-3-19-17(12-8-9-14(2)13-17)16(18)15-10-6-4-5-7-11-15/h14-16H,3-13,18H2,1-2H3.
What are the key properties of cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methanamine?
cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methanamine has a molecular weight of 267.46 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methanamine is sourced from PubChem (CID 116768145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).