N'-cyclohexyl-N'-methyl-N-(thiolan-3-ylmethyl)propane-1,3-diamine

C15H30N2S — CID 107131892

IUPACN'-cyclohexyl-N'-methyl-N-(thiolan-3-ylmethyl)propane-1,3-diamine
SMILESCN(CCCNCC1CCSC1)C1CCCCC1
InChIInChI=1S/C15H30N2S/c1-17(15-6-3-2-4-7-15)10-5-9-16-12-14-8-11-18-13-14/h14-16H,2-13H2,1H3
InChIKeySHJSCIONXHYITQ-UHFFFAOYSA-N
MW270.49 g/mol
LogP2.98
Rot. Bonds7

About N'-cyclohexyl-N'-methyl-N-(thiolan-3-ylmethyl)propane-1,3-diamine

N'-cyclohexyl-N'-methyl-N-(thiolan-3-ylmethyl)propane-1,3-diamine (PubChem CID 107131892) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is N'-cyclohexyl-N'-methyl-N-(thiolan-3-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-methyl-N-(thiolan-3-ylmethyl)propane-1,3-diamine
PubChem CID107131892
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC NameN'-cyclohexyl-N'-methyl-N-(thiolan-3-ylmethyl)propane-1,3-diamine
SMILESCN(CCCNCC1CCSC1)C1CCCCC1
InChIInChI=1S/C15H30N2S/c1-17(15-6-3-2-4-7-15)10-5-9-16-12-14-8-11-18-13-14/h14-16H,2-13H2,1H3
InChIKeySHJSCIONXHYITQ-UHFFFAOYSA-N
XLogP2.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-cyclohexyl-N'-methyl-N-(thiolan-3-yl)propane-1,3-diamine
CID 54880266
N'-cyclohexyl-N'-methyl-N-(oxan-4-ylmethyl)propane-1,3-diamine
CID 55066114
N'-cyclohexyl-N'-methyl-N-(piperidin-4-ylmethyl)propane-1,3-diamine
CID 79707936
(2S)-3-[3-[cyclohexyl(methyl)amino]propylamino]propane-1,2-diol
CID 61142942
1-cyclohexyl-N-(thiolan-3-ylmethyl)methanamine
CID 107131394
N'-cyclopentyl-N'-methyl-N-propylpropane-1,3-diamine
CID 61386666
N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine
CID 61387268
N'-cyclohexyl-N-(2,2-dimethoxyethyl)-N'-methylpropane-1,3-diamine
CID 63697606
2-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]-2-ethylbutan-1-ol
CID 81418915
N'-cyclohexyl-N'-methyl-N-(3-methylbutyl)propane-1,3-diamine
CID 60732733
5-(thiolan-3-ylmethylamino)pentanoic acid
CID 107296968
5-methyl-N-(thiolan-3-ylmethyl)hexan-1-amine
CID 107132315

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-methyl-N-(thiolan-3-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-cyclohexyl-N'-methyl-N-(thiolan-3-ylmethyl)propane-1,3-diamine (CID 107131892) is N'-cyclohexyl-N'-methyl-N-(thiolan-3-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-methyl-N-(thiolan-3-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-cyclohexyl-N'-methyl-N-(thiolan-3-ylmethyl)propane-1,3-diamine is CN(CCCNCC1CCSC1)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N'-methyl-N-(thiolan-3-ylmethyl)propane-1,3-diamine?
The InChIKey is SHJSCIONXHYITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-17(15-6-3-2-4-7-15)10-5-9-16-12-14-8-11-18-13-14/h14-16H,2-13H2,1H3.
What are the key properties of N'-cyclohexyl-N'-methyl-N-(thiolan-3-ylmethyl)propane-1,3-diamine?
N'-cyclohexyl-N'-methyl-N-(thiolan-3-ylmethyl)propane-1,3-diamine has a molecular weight of 270.49 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-methyl-N-(thiolan-3-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 107131892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).