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

C14H28N2S — CID 54880266

IUPACN'-cyclohexyl-N'-methyl-N-(thiolan-3-yl)propane-1,3-diamine
SMILESCN(CCCNC1CCSC1)C1CCCCC1
InChIInChI=1S/C14H28N2S/c1-16(14-6-3-2-4-7-14)10-5-9-15-13-8-11-17-12-13/h13-15H,2-12H2,1H3
InChIKeyDFISHLWCQDHUHA-UHFFFAOYSA-N
MW256.46 g/mol
LogP2.74
Rot. Bonds6

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

N'-cyclohexyl-N'-methyl-N-(thiolan-3-yl)propane-1,3-diamine (PubChem CID 54880266) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is N'-cyclohexyl-N'-methyl-N-(thiolan-3-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-methyl-N-(thiolan-3-yl)propane-1,3-diamine
PubChem CID54880266
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC NameN'-cyclohexyl-N'-methyl-N-(thiolan-3-yl)propane-1,3-diamine
SMILESCN(CCCNC1CCSC1)C1CCCCC1
InChIInChI=1S/C14H28N2S/c1-16(14-6-3-2-4-7-14)10-5-9-15-13-8-11-17-12-13/h13-15H,2-12H2,1H3
InChIKeyDFISHLWCQDHUHA-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 52.74
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'-cyclopropyl-N'-methyl-N-(thiolan-3-yl)ethane-1,2-diamine
CID 62975333
N'-cyclohexyl-N'-methyl-N-(4-propan-2-ylcyclohexyl)propane-1,3-diamine
CID 63451987
N'-cyclohexyl-N'-methyl-N-(thiolan-3-ylmethyl)propane-1,3-diamine
CID 107131892
N'-cyclohexyl-N'-methyl-N-(1-oxothian-4-yl)propane-1,3-diamine
CID 54981732
N'-cyclohexyl-N-(1,1-dioxothian-4-yl)-N'-methylpropane-1,3-diamine
CID 60980818
N'-cyclohexyl-N-(4-ethylcycloheptyl)-N'-methylpropane-1,3-diamine
CID 65083055
N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine
CID 61387268
N-pentylthiolan-3-amine
CID 43177655
N,N'-dicyclopentyl-N'-methylethane-1,2-diamine
CID 60850716
N-(4,4-dimethylpentyl)thiolan-3-amine
CID 115891448
N'-methyl-N-(3-methylcyclohexyl)-N'-(thiolan-3-yl)ethane-1,2-diamine
CID 62561683
N'-cyclohexyl-N-(2,2-dimethylcyclohexyl)-N'-methylpropane-1,3-diamine
CID 79834348

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-methyl-N-(thiolan-3-yl)propane-1,3-diamine?
The IUPAC name of N'-cyclohexyl-N'-methyl-N-(thiolan-3-yl)propane-1,3-diamine (CID 54880266) is N'-cyclohexyl-N'-methyl-N-(thiolan-3-yl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-methyl-N-(thiolan-3-yl)propane-1,3-diamine?
The canonical SMILES for N'-cyclohexyl-N'-methyl-N-(thiolan-3-yl)propane-1,3-diamine is CN(CCCNC1CCSC1)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N'-methyl-N-(thiolan-3-yl)propane-1,3-diamine?
The InChIKey is DFISHLWCQDHUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-16(14-6-3-2-4-7-14)10-5-9-15-13-8-11-17-12-13/h13-15H,2-12H2,1H3.
What are the key properties of N'-cyclohexyl-N'-methyl-N-(thiolan-3-yl)propane-1,3-diamine?
N'-cyclohexyl-N'-methyl-N-(thiolan-3-yl)propane-1,3-diamine has a molecular weight of 256.46 g/mol, XLogP of 2.74, 6 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-yl)propane-1,3-diamine is sourced from PubChem (CID 54880266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).