N-ethylsulfanyl-N',N'-dimethylpropane-1,3-diamine

C7H18N2S — CID 88959028

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

About N-ethylsulfanyl-N',N'-dimethylpropane-1,3-diamine

N-ethylsulfanyl-N',N'-dimethylpropane-1,3-diamine (PubChem CID 88959028) has the molecular formula C7H18N2S and a molecular weight of 162.30 g/mol. Its IUPAC name is N-ethylsulfanyl-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-ethylsulfanyl-N',N'-dimethylpropane-1,3-diamine
PubChem CID88959028
Molecular FormulaC7H18N2S
Molecular Weight162.30 g/mol
Exact Mass162.12
IUPAC NameN-ethylsulfanyl-N',N'-dimethylpropane-1,3-diamine
SMILESCCSNCCCN(C)C
InChIInChI=1S/C7H18N2S/c1-4-10-8-6-5-7-9(2)3/h8H,4-7H2,1-3H3
InChIKeyPSVRDPMWROPHMP-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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Frequently Asked Questions

What is the IUPAC name of N-ethylsulfanyl-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-ethylsulfanyl-N',N'-dimethylpropane-1,3-diamine (CID 88959028) is N-ethylsulfanyl-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-ethylsulfanyl-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-ethylsulfanyl-N',N'-dimethylpropane-1,3-diamine is CCSNCCCN(C)C.
What is the InChIKey of N-ethylsulfanyl-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is PSVRDPMWROPHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2S/c1-4-10-8-6-5-7-9(2)3/h8H,4-7H2,1-3H3.
What are the key properties of N-ethylsulfanyl-N',N'-dimethylpropane-1,3-diamine?
N-ethylsulfanyl-N',N'-dimethylpropane-1,3-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-ethylsulfanyl-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 88959028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).