4-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-amine

C12H24N2S — CID 61419057

IUPAC4-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-amine
SMILESNC1CCC(CN2CCCSCC2)CC1
InChIInChI=1S/C12H24N2S/c13-12-4-2-11(3-5-12)10-14-6-1-8-15-9-7-14/h11-12H,1-10,13H2
InChIKeyKUFDSLPMDLDFPF-UHFFFAOYSA-N
MW228.40 g/mol
LogP1.94
Rot. Bonds2

About 4-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-amine

4-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-amine (PubChem CID 61419057) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 4-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-amine
PubChem CID61419057
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name4-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-amine
SMILESNC1CCC(CN2CCCSCC2)CC1
InChIInChI=1S/C12H24N2S/c13-12-4-2-11(3-5-12)10-14-6-1-8-15-9-7-14/h11-12H,1-10,13H2
InChIKeyKUFDSLPMDLDFPF-UHFFFAOYSA-N
XLogP1.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-Fluoro-1-(thian-4-yl)azepan-4-yl]methanamine
CID 115055716
2-(Azepan-3-yl)thiomorpholine
CID 57269641
1-[1-(1-Methylsulfanylethyl)azepan-4-yl]ethanamine
CID 123894324
2,3,4,5,5a,6,7,8,9,9a-Decahydrobenzo[f][1,4]thiazepine
CID 146469585
4-[[2-(dimethylamino)-2-methylpropyl]sulfanylmethyl]-N-methylcyclohexan-1-amine
CID 20760591
4-[2-(dimethylamino)ethylsulfanylmethyl]-N-methylcyclohexan-1-amine
CID 20760595
4-methyl-N-(3-methylsulfanylpropyl)cyclohexan-1-amine
CID 28615144
2-N-(4-ethylcyclohexyl)-2-N-methyl-4-methylsulfanylbutane-1,2-diamine
CID 54947949
3-methyl-N-[2-(1,4-thiazepan-4-yl)ethyl]cyclohexan-1-amine
CID 55089081
N-ethyl-4-methyl-2-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-amine
CID 55094240
N,4-diethyl-2-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-amine
CID 55094286
4-(Thiomorpholin-4-ylmethyl)cyclohexan-1-amine
CID 60849283

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 4-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-amine (CID 61419057) is 4-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 4-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-amine is NC1CCC(CN2CCCSCC2)CC1.
What is the InChIKey of 4-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-amine?
The InChIKey is KUFDSLPMDLDFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c13-12-4-2-11(3-5-12)10-14-6-1-8-15-9-7-14/h11-12H,1-10,13H2.
What are the key properties of 4-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-amine?
4-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-amine has a molecular weight of 228.40 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 61419057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).