N',2,2-trimethyl-N'-(2-phenylsulfanylethyl)propane-1,3-diamine;hydrochloride

C14H25ClN2S — CID 119928677

IUPACN',2,2-trimethyl-N'-(2-phenylsulfanylethyl)propane-1,3-diamine;hydrochloride
SMILESCN(CCSc1ccccc1)CC(C)(C)CN.Cl
InChIInChI=1S/C14H24N2S.ClH/c1-14(2,11-15)12-16(3)9-10-17-13-7-5-4-6-8-13;/h4-8H,9-12,15H2,1-3H3;1H
InChIKeyOVHOMUXWZWSVRQ-UHFFFAOYSA-N
MW288.89 g/mol
LogP3.12
Rot. Bonds7

About N',2,2-trimethyl-N'-(2-phenylsulfanylethyl)propane-1,3-diamine;hydrochloride

N',2,2-trimethyl-N'-(2-phenylsulfanylethyl)propane-1,3-diamine;hydrochloride (PubChem CID 119928677) has the molecular formula C14H25ClN2S and a molecular weight of 288.89 g/mol. Its IUPAC name is N',2,2-trimethyl-N'-(2-phenylsulfanylethyl)propane-1,3-diamine;hydrochloride.

Molecular Properties

Compound NameN',2,2-trimethyl-N'-(2-phenylsulfanylethyl)propane-1,3-diamine;hydrochloride
PubChem CID119928677
Molecular FormulaC14H25ClN2S
Molecular Weight288.89 g/mol
Exact Mass288.14
IUPAC NameN',2,2-trimethyl-N'-(2-phenylsulfanylethyl)propane-1,3-diamine;hydrochloride
SMILESCN(CCSc1ccccc1)CC(C)(C)CN.Cl
InChIInChI=1S/C14H24N2S.ClH/c1-14(2,11-15)12-16(3)9-10-17-13-7-5-4-6-8-13;/h4-8H,9-12,15H2,1-3H3;1H
InChIKeyOVHOMUXWZWSVRQ-UHFFFAOYSA-N
XLogP3.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.89
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-methyl-N-(2-phenylsulfanylethyl)ethanamine
CID 78993096
N',2,2-trimethyl-N'-(2-phenylethyl)propane-1,3-diamine;hydrochloride
CID 119928998
N'-benzyl-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 119928986
N'-benzyl-N',2,2-trimethylpropane-1,3-diamine
CID 62262842
N'-[2-(2-ethoxyphenoxy)ethyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 119928708
N',2,2-trimethyl-N'-(1-phenylethyl)propane-1,3-diamine;hydrochloride
CID 119928713
2-methyl-2-[methyl(2-phenylsulfanylethyl)amino]propanoic acid
CID 79228537
N-[(4-fluorophenyl)methyl]-N-methyl-2-phenylsulfanylethanamine
CID 78962431
N,N-dimethyl-2-[methyl(2-phenylsulfanylethyl)amino]acetamide
CID 78962685
N'-[(2-chlorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 119928722
N',2,2-trimethyl-N'-(3-methylsulfanylpropyl)propane-1,3-diamine
CID 79644855
N'-methyl-N'-(2-phenylsulfanylethyl)-N-propan-2-ylethane-1,2-diamine
CID 79221911

Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N'-(2-phenylsulfanylethyl)propane-1,3-diamine;hydrochloride?
The IUPAC name of N',2,2-trimethyl-N'-(2-phenylsulfanylethyl)propane-1,3-diamine;hydrochloride (CID 119928677) is N',2,2-trimethyl-N'-(2-phenylsulfanylethyl)propane-1,3-diamine;hydrochloride.
What is the SMILES notation for N',2,2-trimethyl-N'-(2-phenylsulfanylethyl)propane-1,3-diamine;hydrochloride?
The canonical SMILES for N',2,2-trimethyl-N'-(2-phenylsulfanylethyl)propane-1,3-diamine;hydrochloride is CN(CCSc1ccccc1)CC(C)(C)CN.Cl.
What is the InChIKey of N',2,2-trimethyl-N'-(2-phenylsulfanylethyl)propane-1,3-diamine;hydrochloride?
The InChIKey is OVHOMUXWZWSVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S.ClH/c1-14(2,11-15)12-16(3)9-10-17-13-7-5-4-6-8-13;/h4-8H,9-12,15H2,1-3H3;1H.
What are the key properties of N',2,2-trimethyl-N'-(2-phenylsulfanylethyl)propane-1,3-diamine;hydrochloride?
N',2,2-trimethyl-N'-(2-phenylsulfanylethyl)propane-1,3-diamine;hydrochloride has a molecular weight of 288.89 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2-trimethyl-N'-(2-phenylsulfanylethyl)propane-1,3-diamine;hydrochloride is sourced from PubChem (CID 119928677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).