N-cyclohexyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine

C14H30N2S — CID 112666260

IUPACN-cyclohexyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
SMILESCSCC(C)N(C)CCCNC1CCCCC1
InChIInChI=1S/C14H30N2S/c1-13(12-17-3)16(2)11-7-10-15-14-8-5-4-6-9-14/h13-15H,4-12H2,1-3H3
InChIKeyVKVCCPSVDZHPFH-UHFFFAOYSA-N
MW258.47 g/mol
LogP2.98
Rot. Bonds8

About N-cyclohexyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine

N-cyclohexyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine (PubChem CID 112666260) has the molecular formula C14H30N2S and a molecular weight of 258.47 g/mol. Its IUPAC name is N-cyclohexyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN-cyclohexyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
PubChem CID112666260
Molecular FormulaC14H30N2S
Molecular Weight258.47 g/mol
Exact Mass258.21
IUPAC NameN-cyclohexyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
SMILESCSCC(C)N(C)CCCNC1CCCCC1
InChIInChI=1S/C14H30N2S/c1-13(12-17-3)16(2)11-7-10-15-14-8-5-4-6-9-14/h13-15H,4-12H2,1-3H3
InChIKeyVKVCCPSVDZHPFH-UHFFFAOYSA-N
XLogP2.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.47
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-cyclopropyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)pentane-1,5-diamine
CID 112665952
N-cyclopropyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112661279
N-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N'-methylpropane-1,3-diamine
CID 62568594
N-cyclopentyl-N'-methyl-N'-(2-methylsulfanylethyl)propane-1,3-diamine
CID 112666095
N-cyclooctyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634350
N-(3-methylsulfanylpropyl)cyclohexanamine
CID 28609981
N-cycloheptyl-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 62573668
N-cyclopentyl-N'-(2-methylpropyl)-N'-pentan-3-ylpropane-1,3-diamine
CID 79490291
N-cyclohexyl-N'-methyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine
CID 62562744
N-cyclopentyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 60850712
N-cyclohexyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 62575849
1-N-cyclohexyl-2-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 63007613

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine?
The IUPAC name of N-cyclohexyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine (CID 112666260) is N-cyclohexyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine.
What is the SMILES notation for N-cyclohexyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine?
The canonical SMILES for N-cyclohexyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine is CSCC(C)N(C)CCCNC1CCCCC1.
What is the InChIKey of N-cyclohexyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine?
The InChIKey is VKVCCPSVDZHPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2S/c1-13(12-17-3)16(2)11-7-10-15-14-8-5-4-6-9-14/h13-15H,4-12H2,1-3H3.
What are the key properties of N-cyclohexyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine?
N-cyclohexyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine has a molecular weight of 258.47 g/mol, XLogP of 2.98, 8 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'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine is sourced from PubChem (CID 112666260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).