1-ethyl-N-(2-ethylsulfanylcyclopentyl)azepan-4-amine

C15H30N2S — CID 114121433

IUPAC1-ethyl-N-(2-ethylsulfanylcyclopentyl)azepan-4-amine
SMILESCCSC1CCCC1NC1CCCN(CC)CC1
InChIInChI=1S/C15H30N2S/c1-3-17-11-6-7-13(10-12-17)16-14-8-5-9-15(14)18-4-2/h13-16H,3-12H2,1-2H3
InChIKeyZPDSVCLRLHACLU-UHFFFAOYSA-N
MW270.49 g/mol
LogP3.12
Rot. Bonds5

About 1-ethyl-N-(2-ethylsulfanylcyclopentyl)azepan-4-amine

1-ethyl-N-(2-ethylsulfanylcyclopentyl)azepan-4-amine (PubChem CID 114121433) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is 1-ethyl-N-(2-ethylsulfanylcyclopentyl)azepan-4-amine.

Molecular Properties

Compound Name1-ethyl-N-(2-ethylsulfanylcyclopentyl)azepan-4-amine
PubChem CID114121433
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC Name1-ethyl-N-(2-ethylsulfanylcyclopentyl)azepan-4-amine
SMILESCCSC1CCCC1NC1CCCN(CC)CC1
InChIInChI=1S/C15H30N2S/c1-3-17-11-6-7-13(10-12-17)16-14-8-5-9-15(14)18-4-2/h13-16H,3-12H2,1-2H3
InChIKeyZPDSVCLRLHACLU-UHFFFAOYSA-N
XLogP3.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-N-(2-methylsulfanylcyclohexyl)piperidin-4-amine
CID 113259889
N-(1-ethylazepan-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 65073555
N-(2-ethylsulfanylcyclopentyl)-3-methoxycyclohexan-1-amine
CID 114121380
N-(1,1-dioxothian-4-yl)-1-ethylazepan-4-amine
CID 65074346
1-(2-methylpropyl)-N-[(1S,2R)-2-methylsulfanylcyclopentyl]piperidin-4-amine
CID 97323051
N-(2,3-dimethylcyclohexyl)-1-propylazepan-4-amine
CID 65073049
3-[(1-ethylazepan-4-yl)amino]cyclohexane-1-carboxylic acid
CID 65077252
2-(1-ethylazepan-4-yl)-1,1-dimethylhydrazine
CID 83005446
1-ethyl-N-(3-methoxycyclopentyl)azepan-4-amine
CID 114117952
1-ethyl-N-methylazepan-4-amine;methyl formate
CID 170601459
1-methyl-N-(2-methylsulfanylcyclohexyl)azepan-4-amine
CID 103859823
1-ethyl-N-(2-propylcyclopropyl)piperidin-4-amine
CID 115901395

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-ethylsulfanylcyclopentyl)azepan-4-amine?
The IUPAC name of 1-ethyl-N-(2-ethylsulfanylcyclopentyl)azepan-4-amine (CID 114121433) is 1-ethyl-N-(2-ethylsulfanylcyclopentyl)azepan-4-amine.
What is the SMILES notation for 1-ethyl-N-(2-ethylsulfanylcyclopentyl)azepan-4-amine?
The canonical SMILES for 1-ethyl-N-(2-ethylsulfanylcyclopentyl)azepan-4-amine is CCSC1CCCC1NC1CCCN(CC)CC1.
What is the InChIKey of 1-ethyl-N-(2-ethylsulfanylcyclopentyl)azepan-4-amine?
The InChIKey is ZPDSVCLRLHACLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-3-17-11-6-7-13(10-12-17)16-14-8-5-9-15(14)18-4-2/h13-16H,3-12H2,1-2H3.
What are the key properties of 1-ethyl-N-(2-ethylsulfanylcyclopentyl)azepan-4-amine?
1-ethyl-N-(2-ethylsulfanylcyclopentyl)azepan-4-amine has a molecular weight of 270.49 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-ethylsulfanylcyclopentyl)azepan-4-amine is sourced from PubChem (CID 114121433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).