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

C16H32N2S — CID 112682338

IUPAC[3,3,5,5-tetramethyl-1-(1,4-thiazepan-4-yl)cyclohexyl]methanamine
SMILESCC1(C)CC(C)(C)CC(CN)(N2CCCSCC2)C1
InChIInChI=1S/C16H32N2S/c1-14(2)10-15(3,4)12-16(11-14,13-17)18-6-5-8-19-9-7-18/h5-13,17H2,1-4H3
InChIKeyGMUXVDVLKNPGOU-UHFFFAOYSA-N
MW284.51 g/mol
LogP3.36
Rot. Bonds2

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

[3,3,5,5-tetramethyl-1-(1,4-thiazepan-4-yl)cyclohexyl]methanamine (PubChem CID 112682338) has the molecular formula C16H32N2S and a molecular weight of 284.51 g/mol. Its IUPAC name is [3,3,5,5-tetramethyl-1-(1,4-thiazepan-4-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[3,3,5,5-tetramethyl-1-(1,4-thiazepan-4-yl)cyclohexyl]methanamine
PubChem CID112682338
Molecular FormulaC16H32N2S
Molecular Weight284.51 g/mol
Exact Mass284.23
IUPAC Name[3,3,5,5-tetramethyl-1-(1,4-thiazepan-4-yl)cyclohexyl]methanamine
SMILESCC1(C)CC(C)(C)CC(CN)(N2CCCSCC2)C1
InChIInChI=1S/C16H32N2S/c1-14(2)10-15(3,4)12-16(11-14,13-17)18-6-5-8-19-9-7-18/h5-13,17H2,1-4H3
InChIKeyGMUXVDVLKNPGOU-UHFFFAOYSA-N
XLogP3.36
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.51
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5,5-dimethyl-3-thiomorpholin-4-ylthian-3-yl)methanamine
CID 79958750
[3,5-dimethyl-1-(1,4-thiazepan-4-yl)cyclohexyl]methanamine
CID 64752644
(4,4-dimethyl-1-thiomorpholin-4-ylcycloheptyl)methanamine
CID 65088212
1-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]-N,N-dimethylpiperidin-4-amine
CID 115999034
(1-thiomorpholin-4-ylcyclododecyl)methanamine
CID 29050308
[3,3,5,5-tetramethyl-1-(3-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 112682303
[4-(4,4-dimethylpiperidin-1-yl)thian-4-yl]methanamine
CID 62938084
[1,1-dioxo-3-(1,4-thiazepan-4-yl)thian-3-yl]methanamine
CID 63922455
[5,5-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)thian-3-yl]methanamine
CID 79958749
[1-(2,6-dimethylthiomorpholin-4-yl)-3,3,5,5-tetramethylcyclohexyl]methanamine
CID 115999117
(3-methoxy-1-thiomorpholin-4-ylcyclohexyl)methanamine
CID 106872149
[5,5-dimethyl-3-(1,4-oxazepan-4-yl)thian-3-yl]methanamine
CID 79958271

Frequently Asked Questions

What is the IUPAC name of [3,3,5,5-tetramethyl-1-(1,4-thiazepan-4-yl)cyclohexyl]methanamine?
The IUPAC name of [3,3,5,5-tetramethyl-1-(1,4-thiazepan-4-yl)cyclohexyl]methanamine (CID 112682338) is [3,3,5,5-tetramethyl-1-(1,4-thiazepan-4-yl)cyclohexyl]methanamine.
What is the SMILES notation for [3,3,5,5-tetramethyl-1-(1,4-thiazepan-4-yl)cyclohexyl]methanamine?
The canonical SMILES for [3,3,5,5-tetramethyl-1-(1,4-thiazepan-4-yl)cyclohexyl]methanamine is CC1(C)CC(C)(C)CC(CN)(N2CCCSCC2)C1.
What is the InChIKey of [3,3,5,5-tetramethyl-1-(1,4-thiazepan-4-yl)cyclohexyl]methanamine?
The InChIKey is GMUXVDVLKNPGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2S/c1-14(2)10-15(3,4)12-16(11-14,13-17)18-6-5-8-19-9-7-18/h5-13,17H2,1-4H3.
What are the key properties of [3,3,5,5-tetramethyl-1-(1,4-thiazepan-4-yl)cyclohexyl]methanamine?
[3,3,5,5-tetramethyl-1-(1,4-thiazepan-4-yl)cyclohexyl]methanamine has a molecular weight of 284.51 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3,5,5-tetramethyl-1-(1,4-thiazepan-4-yl)cyclohexyl]methanamine is sourced from PubChem (CID 112682338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).