4-ethyl-N-(3-ethylsulfanylcyclopentyl)cycloheptan-1-amine

C16H31NS — CID 114122927

IUPAC4-ethyl-N-(3-ethylsulfanylcyclopentyl)cycloheptan-1-amine
SMILESCCSC1CCC(NC2CCCC(CC)CC2)C1
InChIInChI=1S/C16H31NS/c1-3-13-6-5-7-14(9-8-13)17-15-10-11-16(12-15)18-4-2/h13-17H,3-12H2,1-2H3
InChIKeyUOUPUYSBZIZHOI-UHFFFAOYSA-N
MW269.50 g/mol
LogP4.61
Rot. Bonds5

About 4-ethyl-N-(3-ethylsulfanylcyclopentyl)cycloheptan-1-amine

4-ethyl-N-(3-ethylsulfanylcyclopentyl)cycloheptan-1-amine (PubChem CID 114122927) has the molecular formula C16H31NS and a molecular weight of 269.50 g/mol. Its IUPAC name is 4-ethyl-N-(3-ethylsulfanylcyclopentyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-(3-ethylsulfanylcyclopentyl)cycloheptan-1-amine
PubChem CID114122927
Molecular FormulaC16H31NS
Molecular Weight269.50 g/mol
Exact Mass269.22
IUPAC Name4-ethyl-N-(3-ethylsulfanylcyclopentyl)cycloheptan-1-amine
SMILESCCSC1CCC(NC2CCCC(CC)CC2)C1
InChIInChI=1S/C16H31NS/c1-3-13-6-5-7-14(9-8-13)17-15-10-11-16(12-15)18-4-2/h13-17H,3-12H2,1-2H3
InChIKeyUOUPUYSBZIZHOI-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.50
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-N-(3-ethylcyclohexyl)cycloheptan-1-amine
CID 65088157
N-(1-cyclobutylpropan-2-yl)-3-ethylsulfanylcyclopentan-1-amine
CID 115725131
3-cyclopropyl-N-(4-ethylcyclohexyl)cyclohexan-1-amine
CID 64623583
3-ethylsulfanyl-N-(3-methoxycyclobutyl)cyclopentan-1-amine
CID 104871846
N-(4-ethylcycloheptyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65470279
(1R)-4-ethyl-N-methylcycloheptan-1-amine
CID 155058936
N-ethyl-3-ethylsulfanylcyclohexan-1-amine
CID 64715277
3-N-(3-ethylcyclohexyl)cyclopentane-1,3-diamine
CID 79461810
N-(3-ethylcyclopentyl)-3-methylcyclohexan-1-amine
CID 64501673
4-[(3-ethylsulfanylcyclopentyl)amino]piperidine-1-carboxamide
CID 103787245
N-(4-ethylcyclohexyl)-3,4-dimethylcyclohexan-1-amine
CID 64747002
ethyl 4-[[(1R,3S)-3-ethylsulfanylcyclohexyl]amino]piperidine-1-carboxylate
CID 97056311

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(3-ethylsulfanylcyclopentyl)cycloheptan-1-amine?
The IUPAC name of 4-ethyl-N-(3-ethylsulfanylcyclopentyl)cycloheptan-1-amine (CID 114122927) is 4-ethyl-N-(3-ethylsulfanylcyclopentyl)cycloheptan-1-amine.
What is the SMILES notation for 4-ethyl-N-(3-ethylsulfanylcyclopentyl)cycloheptan-1-amine?
The canonical SMILES for 4-ethyl-N-(3-ethylsulfanylcyclopentyl)cycloheptan-1-amine is CCSC1CCC(NC2CCCC(CC)CC2)C1.
What is the InChIKey of 4-ethyl-N-(3-ethylsulfanylcyclopentyl)cycloheptan-1-amine?
The InChIKey is UOUPUYSBZIZHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NS/c1-3-13-6-5-7-14(9-8-13)17-15-10-11-16(12-15)18-4-2/h13-17H,3-12H2,1-2H3.
What are the key properties of 4-ethyl-N-(3-ethylsulfanylcyclopentyl)cycloheptan-1-amine?
4-ethyl-N-(3-ethylsulfanylcyclopentyl)cycloheptan-1-amine has a molecular weight of 269.50 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(3-ethylsulfanylcyclopentyl)cycloheptan-1-amine is sourced from PubChem (CID 114122927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).