N-tert-butyl-N'-methyl-2-methylidene-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine

C14H30N2S — CID 103071191

IUPACN-tert-butyl-N'-methyl-2-methylidene-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine
SMILESC=C(CNC(C)(C)C)CN(C)C(CC)CSC
InChIInChI=1S/C14H30N2S/c1-8-13(11-17-7)16(6)10-12(2)9-15-14(3,4)5/h13,15H,2,8-11H2,1,3-7H3
InChIKeyHATHIHFYMPSIRB-UHFFFAOYSA-N
MW258.47 g/mol
LogP3.00
Rot. Bonds8

About N-tert-butyl-N'-methyl-2-methylidene-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine

N-tert-butyl-N'-methyl-2-methylidene-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine (PubChem CID 103071191) has the molecular formula C14H30N2S and a molecular weight of 258.47 g/mol. Its IUPAC name is N-tert-butyl-N'-methyl-2-methylidene-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-methyl-2-methylidene-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine
PubChem CID103071191
Molecular FormulaC14H30N2S
Molecular Weight258.47 g/mol
Exact Mass258.21
IUPAC NameN-tert-butyl-N'-methyl-2-methylidene-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine
SMILESC=C(CNC(C)(C)C)CN(C)C(CC)CSC
InChIInChI=1S/C14H30N2S/c1-8-13(11-17-7)16(6)10-12(2)9-15-14(3,4)5/h13,15H,2,8-11H2,1,3-7H3
InChIKeyHATHIHFYMPSIRB-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(chloromethyl)prop-2-enyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 103067950
2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]prop-2-ene-1-thiol
CID 103073536
1-(tert-butylamino)-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propan-2-ol
CID 112658783
trifluoro-[3-[methyl(1-methylsulfanylbutan-2-yl)amino]prop-1-en-2-yl]boranuide
CID 106746228
N-tert-butyl-N'-methyl-N'-(2-methylbutyl)-2-methylidenepropane-1,3-diamine
CID 103069309
2-methyl-2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]butan-1-ol
CID 112665129
4-[2-[(tert-butylamino)methyl]prop-2-enyl-methylamino]butan-2-ol
CID 103071291
N,N',2,2-tetramethyl-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine
CID 112664882
2-[2-[(tert-butylamino)methyl]prop-2-enyl-propan-2-ylamino]ethanol
CID 103069967
3-bromo-N,2,2-trimethyl-N-(1-methylsulfanylbutan-2-yl)propan-1-amine
CID 112663720
N'-methyl-N-(2-methylpropyl)-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine
CID 112665719
2-cyano-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)propanamide
CID 112551674

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-methyl-2-methylidene-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine?
The IUPAC name of N-tert-butyl-N'-methyl-2-methylidene-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine (CID 103071191) is N-tert-butyl-N'-methyl-2-methylidene-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-N'-methyl-2-methylidene-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine?
The canonical SMILES for N-tert-butyl-N'-methyl-2-methylidene-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine is C=C(CNC(C)(C)C)CN(C)C(CC)CSC.
What is the InChIKey of N-tert-butyl-N'-methyl-2-methylidene-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine?
The InChIKey is HATHIHFYMPSIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2S/c1-8-13(11-17-7)16(6)10-12(2)9-15-14(3,4)5/h13,15H,2,8-11H2,1,3-7H3.
What are the key properties of N-tert-butyl-N'-methyl-2-methylidene-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine?
N-tert-butyl-N'-methyl-2-methylidene-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine has a molecular weight of 258.47 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-methyl-2-methylidene-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine is sourced from PubChem (CID 103071191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).