N,N-dimethyl-4-(methylaminosulfanyl)butan-1-amine

C7H18N2S — CID 144560896

IUPACN,N-dimethyl-4-(methylaminosulfanyl)butan-1-amine
SMILESCNSCCCCN(C)C
InChIInChI=1S/C7H18N2S/c1-8-10-7-5-4-6-9(2)3/h8H,4-7H2,1-3H3
InChIKeyYADVNMHSKAVKFR-UHFFFAOYSA-N
MW162.30 g/mol
LogP1.20
Rot. Bonds6

About N,N-dimethyl-4-(methylaminosulfanyl)butan-1-amine

N,N-dimethyl-4-(methylaminosulfanyl)butan-1-amine (PubChem CID 144560896) has the molecular formula C7H18N2S and a molecular weight of 162.30 g/mol. Its IUPAC name is N,N-dimethyl-4-(methylaminosulfanyl)butan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-(methylaminosulfanyl)butan-1-amine
PubChem CID144560896
Molecular FormulaC7H18N2S
Molecular Weight162.30 g/mol
Exact Mass162.12
IUPAC NameN,N-dimethyl-4-(methylaminosulfanyl)butan-1-amine
SMILESCNSCCCCN(C)C
InChIInChI=1S/C7H18N2S/c1-8-10-7-5-4-6-9(2)3/h8H,4-7H2,1-3H3
InChIKeyYADVNMHSKAVKFR-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-4-methylsulfanylbutan-1-amine
CID 54463978
N,N,N',N'-tetramethylbutane-1,4-diamine;dihydrochloride
CID 20545505
6-[6-(dimethylamino)hexyltetrasulfanyl]-N,N-dimethylhexan-1-amine
CID 139749120
N',N'-dimethyl-N-(4-methylsulfanylbutyl)butane-1,4-diamine
CID 103087969
N,N,N',N'-tetramethylpentane-1,5-diamine;dihydrobromide
CID 173097999
3-(dimethylamino)propylsulfanylurea
CID 174340233
N,N-dimethyl-6-[methyl(methylamino)amino]hexan-1-amine
CID 137380902
N,N',N'-trimethylheptane-1,7-diamine
CID 20647758
azane;N,N',N'-trimethylhexane-1,6-diamine
CID 23104245
12-chloro-N,N-dimethyldodecan-1-amine
CID 71338336
3-[2-[2-[3-(dimethylamino)propylsulfanyl]ethylsulfanyl]ethylsulfanyl]-N,N-dimethylpropan-1-amine
CID 21133537
N',N'-dimethyl-N-methylsulfanylbutane-1,4-diamine
CID 156794132

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(methylaminosulfanyl)butan-1-amine?
The IUPAC name of N,N-dimethyl-4-(methylaminosulfanyl)butan-1-amine (CID 144560896) is N,N-dimethyl-4-(methylaminosulfanyl)butan-1-amine.
What is the SMILES notation for N,N-dimethyl-4-(methylaminosulfanyl)butan-1-amine?
The canonical SMILES for N,N-dimethyl-4-(methylaminosulfanyl)butan-1-amine is CNSCCCCN(C)C.
What is the InChIKey of N,N-dimethyl-4-(methylaminosulfanyl)butan-1-amine?
The InChIKey is YADVNMHSKAVKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2S/c1-8-10-7-5-4-6-9(2)3/h8H,4-7H2,1-3H3.
What are the key properties of N,N-dimethyl-4-(methylaminosulfanyl)butan-1-amine?
N,N-dimethyl-4-(methylaminosulfanyl)butan-1-amine 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-4-(methylaminosulfanyl)butan-1-amine is sourced from PubChem (CID 144560896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).