[3,5-dimethyl-1-(1,4-thiazepan-4-yl)cyclohexyl]methanamine

C14H28N2S — CID 64752644

IUPAC[3,5-dimethyl-1-(1,4-thiazepan-4-yl)cyclohexyl]methanamine
SMILESCC1CC(C)CC(CN)(N2CCCSCC2)C1
InChIInChI=1S/C14H28N2S/c1-12-8-13(2)10-14(9-12,11-15)16-4-3-6-17-7-5-16/h12-13H,3-11,15H2,1-2H3
InChIKeyGTEVQTMGCNQAFJ-UHFFFAOYSA-N
MW256.46 g/mol
LogP2.58
Rot. Bonds2

About [3,5-dimethyl-1-(1,4-thiazepan-4-yl)cyclohexyl]methanamine

[3,5-dimethyl-1-(1,4-thiazepan-4-yl)cyclohexyl]methanamine (PubChem CID 64752644) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is [3,5-dimethyl-1-(1,4-thiazepan-4-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[3,5-dimethyl-1-(1,4-thiazepan-4-yl)cyclohexyl]methanamine
PubChem CID64752644
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Name[3,5-dimethyl-1-(1,4-thiazepan-4-yl)cyclohexyl]methanamine
SMILESCC1CC(C)CC(CN)(N2CCCSCC2)C1
InChIInChI=1S/C14H28N2S/c1-12-8-13(2)10-14(9-12,11-15)16-4-3-6-17-7-5-16/h12-13H,3-11,15H2,1-2H3
InChIKeyGTEVQTMGCNQAFJ-UHFFFAOYSA-N
XLogP2.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2,5-dimethyl-1-(1,4-thiazepan-4-yl)cyclohexyl]methanamine
CID 64761949
[3,3,5,5-tetramethyl-1-(1,4-thiazepan-4-yl)cyclohexyl]methanamine
CID 112682338
[3,5-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)cyclohexyl]methanamine
CID 103494626
(1-thiomorpholin-4-ylcyclododecyl)methanamine
CID 29050308
[1-(4-ethoxypiperidin-1-yl)-3,5-dimethylcyclohexyl]methanamine
CID 64751461
(3-methyl-1-pyrrolidin-1-ylcyclohexyl)methanamine
CID 24695310
[1-(azocan-1-yl)-3-methylcyclopentyl]methanamine
CID 64501768
[1,1-dioxo-3-(1,4-thiazepan-4-yl)thian-3-yl]methanamine
CID 63922455
(3-methoxy-1-thiomorpholin-4-ylcyclohexyl)methanamine
CID 106872149
(2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanamine
CID 159003358
(4,4-dimethyl-1-thiomorpholin-4-ylcycloheptyl)methanamine
CID 65088212
[3-methyl-1-(4-propylazepan-1-yl)cyclobutyl]methanamine
CID 103562947

Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-1-(1,4-thiazepan-4-yl)cyclohexyl]methanamine?
The IUPAC name of [3,5-dimethyl-1-(1,4-thiazepan-4-yl)cyclohexyl]methanamine (CID 64752644) is [3,5-dimethyl-1-(1,4-thiazepan-4-yl)cyclohexyl]methanamine.
What is the SMILES notation for [3,5-dimethyl-1-(1,4-thiazepan-4-yl)cyclohexyl]methanamine?
The canonical SMILES for [3,5-dimethyl-1-(1,4-thiazepan-4-yl)cyclohexyl]methanamine is CC1CC(C)CC(CN)(N2CCCSCC2)C1.
What is the InChIKey of [3,5-dimethyl-1-(1,4-thiazepan-4-yl)cyclohexyl]methanamine?
The InChIKey is GTEVQTMGCNQAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-12-8-13(2)10-14(9-12,11-15)16-4-3-6-17-7-5-16/h12-13H,3-11,15H2,1-2H3.
What are the key properties of [3,5-dimethyl-1-(1,4-thiazepan-4-yl)cyclohexyl]methanamine?
[3,5-dimethyl-1-(1,4-thiazepan-4-yl)cyclohexyl]methanamine has a molecular weight of 256.46 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-1-(1,4-thiazepan-4-yl)cyclohexyl]methanamine is sourced from PubChem (CID 64752644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).