4-ethyl-N-(2-ethylsulfanylphenyl)cycloheptan-1-amine

C17H27NS — CID 65083155

IUPAC4-ethyl-N-(2-ethylsulfanylphenyl)cycloheptan-1-amine
SMILESCCSc1ccccc1NC1CCCC(CC)CC1
InChIInChI=1S/C17H27NS/c1-3-14-8-7-9-15(13-12-14)18-16-10-5-6-11-17(16)19-4-2/h5-6,10-11,14-15,18H,3-4,7-9,12-13H2,1-2H3
InChIKeyDFHCXJNVZZXYLI-UHFFFAOYSA-N
MW277.48 g/mol
LogP5.57
Rot. Bonds5

About 4-ethyl-N-(2-ethylsulfanylphenyl)cycloheptan-1-amine

4-ethyl-N-(2-ethylsulfanylphenyl)cycloheptan-1-amine (PubChem CID 65083155) has the molecular formula C17H27NS and a molecular weight of 277.48 g/mol. Its IUPAC name is 4-ethyl-N-(2-ethylsulfanylphenyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-(2-ethylsulfanylphenyl)cycloheptan-1-amine
PubChem CID65083155
Molecular FormulaC17H27NS
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC Name4-ethyl-N-(2-ethylsulfanylphenyl)cycloheptan-1-amine
SMILESCCSc1ccccc1NC1CCCC(CC)CC1
InChIInChI=1S/C17H27NS/c1-3-14-8-7-9-15(13-12-14)18-16-10-5-6-11-17(16)19-4-2/h5-6,10-11,14-15,18H,3-4,7-9,12-13H2,1-2H3
InChIKeyDFHCXJNVZZXYLI-UHFFFAOYSA-N
XLogP5.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.48
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-N-(2-ethylsulfanylphenyl)cycloheptan-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

1-[2-[(4-ethylcycloheptyl)amino]phenyl]ethanol
CID 65083215
4-ethyl-N-phenylcycloheptan-1-amine
CID 65082236
4-ethyl-N-(2-pyrrolidin-1-ylphenyl)cycloheptan-1-amine
CID 65084436
N-(4-ethylcycloheptyl)-1H-indazol-4-amine
CID 65083545
N-(2-ethylsulfanylphenyl)oxolan-3-amine
CID 63335369
4-ethyl-N-(4-propan-2-ylphenyl)cycloheptan-1-amine
CID 65082802
N-(2-ethylsulfanylphenyl)pyrrolidin-3-amine
CID 79731060
N-(4-chloro-2-fluorophenyl)-4-ethylcycloheptan-1-amine
CID 65084049
N-(2-ethylsulfanylphenyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103936271
4-(2-ethylsulfanylanilino)azepan-2-one
CID 63887912
2-[(4-ethylcyclohexyl)amino]-N-methylbenzenesulfonamide
CID 43749872
2-benzylsulfanyl-N-cyclohexylaniline
CID 67941937

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-ethylsulfanylphenyl)cycloheptan-1-amine?
The IUPAC name of 4-ethyl-N-(2-ethylsulfanylphenyl)cycloheptan-1-amine (CID 65083155) is 4-ethyl-N-(2-ethylsulfanylphenyl)cycloheptan-1-amine.
What is the SMILES notation for 4-ethyl-N-(2-ethylsulfanylphenyl)cycloheptan-1-amine?
The canonical SMILES for 4-ethyl-N-(2-ethylsulfanylphenyl)cycloheptan-1-amine is CCSc1ccccc1NC1CCCC(CC)CC1.
What is the InChIKey of 4-ethyl-N-(2-ethylsulfanylphenyl)cycloheptan-1-amine?
The InChIKey is DFHCXJNVZZXYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NS/c1-3-14-8-7-9-15(13-12-14)18-16-10-5-6-11-17(16)19-4-2/h5-6,10-11,14-15,18H,3-4,7-9,12-13H2,1-2H3.
What are the key properties of 4-ethyl-N-(2-ethylsulfanylphenyl)cycloheptan-1-amine?
4-ethyl-N-(2-ethylsulfanylphenyl)cycloheptan-1-amine has a molecular weight of 277.48 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-ethylsulfanylphenyl)cycloheptan-1-amine is sourced from PubChem (CID 65083155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).