5-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine

C17H34N2S — CID 107459384

IUPAC5-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine
SMILESCCNC1C(CN2CCSC(C)(C)CC2)CCC1(C)C
InChIInChI=1S/C17H34N2S/c1-6-18-15-14(7-8-16(15,2)3)13-19-10-9-17(4,5)20-12-11-19/h14-15,18H,6-13H2,1-5H3
InChIKeyNNDJHIUURSXJNK-UHFFFAOYSA-N
MW298.54 g/mol
LogP3.62
Rot. Bonds4

About 5-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine

5-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine (PubChem CID 107459384) has the molecular formula C17H34N2S and a molecular weight of 298.54 g/mol. Its IUPAC name is 5-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name5-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine
PubChem CID107459384
Molecular FormulaC17H34N2S
Molecular Weight298.54 g/mol
Exact Mass298.24
IUPAC Name5-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine
SMILESCCNC1C(CN2CCSC(C)(C)CC2)CCC1(C)C
InChIInChI=1S/C17H34N2S/c1-6-18-15-14(7-8-16(15,2)3)13-19-10-9-17(4,5)20-12-11-19/h14-15,18H,6-13H2,1-5H3
InChIKeyNNDJHIUURSXJNK-UHFFFAOYSA-N
XLogP3.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.54
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

1-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl]-4-methylpiperidin-4-ol
CID 81116006
2,2-dimethyl-N-propyl-5-(1,4-thiazepan-4-ylmethyl)cyclopentan-1-amine
CID 79855942
5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79865810
2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cycloheptan-1-amine
CID 107456123
N-ethyl-5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-amine
CID 79855421
2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-N-methylcycloheptan-1-amine
CID 107459340
2,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]-N-propylcyclopentan-1-amine
CID 79865591
N-ethyl-2,2-dimethyl-5-[(2-methylpiperidin-1-yl)methyl]cyclopentan-1-amine
CID 79865475
2,2-dimethyl-5-(morpholin-4-ylmethyl)-N-propylcyclopentan-1-amine
CID 79866931
[1-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl]piperidin-4-yl]methanol
CID 79866549
2,2-dimethyl-5-(thiomorpholin-4-ylmethyl)cyclopentan-1-ol
CID 79856040
6-[(2,6-dimethylmorpholin-4-yl)methyl]-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79853171

Frequently Asked Questions

What is the IUPAC name of 5-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of 5-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine (CID 107459384) is 5-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for 5-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for 5-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine is CCNC1C(CN2CCSC(C)(C)CC2)CCC1(C)C.
What is the InChIKey of 5-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine?
The InChIKey is NNDJHIUURSXJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2S/c1-6-18-15-14(7-8-16(15,2)3)13-19-10-9-17(4,5)20-12-11-19/h14-15,18H,6-13H2,1-5H3.
What are the key properties of 5-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine?
5-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine has a molecular weight of 298.54 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 107459384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).