N',N'-dimethyl-N-methylsulfanylbutane-1,4-diamine

C7H18N2S — CID 156794132

IUPACN',N'-dimethyl-N-methylsulfanylbutane-1,4-diamine
SMILESCSNCCCCN(C)C
InChIInChI=1S/C7H18N2S/c1-9(2)7-5-4-6-8-10-3/h8H,4-7H2,1-3H3
InChIKeyTZVLJKBSHOLHSG-UHFFFAOYSA-N
MW162.30 g/mol
LogP1.20
Rot. Bonds6

About N',N'-dimethyl-N-methylsulfanylbutane-1,4-diamine

N',N'-dimethyl-N-methylsulfanylbutane-1,4-diamine (PubChem CID 156794132) has the molecular formula C7H18N2S and a molecular weight of 162.30 g/mol. Its IUPAC name is N',N'-dimethyl-N-methylsulfanylbutane-1,4-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-methylsulfanylbutane-1,4-diamine
PubChem CID156794132
Molecular FormulaC7H18N2S
Molecular Weight162.30 g/mol
Exact Mass162.12
IUPAC NameN',N'-dimethyl-N-methylsulfanylbutane-1,4-diamine
SMILESCSNCCCCN(C)C
InChIInChI=1S/C7H18N2S/c1-9(2)7-5-4-6-8-10-3/h8H,4-7H2,1-3H3
InChIKeyTZVLJKBSHOLHSG-UHFFFAOYSA-N
XLogP1.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.30
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N',N'-dimethyl-N-(4-methylsulfanylbutyl)butane-1,4-diamine
CID 103087969
N,N',N'-trimethylheptane-1,7-diamine
CID 20647758
N,N,N',N'-tetramethylbutane-1,4-diamine;dihydrochloride
CID 20545505
azane;N,N',N'-trimethylhexane-1,6-diamine
CID 23104245
N,N-dimethyl-4-methylsulfanylbutan-1-amine
CID 54463978
N,N,N',N'-tetramethylpentane-1,5-diamine;dihydrobromide
CID 173097999
N',N'-dimethyl-N-propylbutane-1,4-diamine;ethane
CID 178117503
N'-[6-(dimethylamino)hexyl]-N-methylhexane-1,6-diamine
CID 57013062
N-(3-aminopropyl)-N',N'-dimethylhexane-1,6-diamine
CID 23461237
N,N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine
CID 10999288
12-chloro-N,N-dimethyldodecan-1-amine
CID 71338336
N',N'-dimethyl-N-pentan-3-ylheptane-1,7-diamine
CID 115712735

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-methylsulfanylbutane-1,4-diamine?
The IUPAC name of N',N'-dimethyl-N-methylsulfanylbutane-1,4-diamine (CID 156794132) is N',N'-dimethyl-N-methylsulfanylbutane-1,4-diamine.
What is the SMILES notation for N',N'-dimethyl-N-methylsulfanylbutane-1,4-diamine?
The canonical SMILES for N',N'-dimethyl-N-methylsulfanylbutane-1,4-diamine is CSNCCCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-methylsulfanylbutane-1,4-diamine?
The InChIKey is TZVLJKBSHOLHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2S/c1-9(2)7-5-4-6-8-10-3/h8H,4-7H2,1-3H3.
What are the key properties of N',N'-dimethyl-N-methylsulfanylbutane-1,4-diamine?
N',N'-dimethyl-N-methylsulfanylbutane-1,4-diamine has a molecular weight of 162.30 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-methylsulfanylbutane-1,4-diamine is sourced from PubChem (CID 156794132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).