N,2,2-trimethyl-N-(1-methylsulfanylpropan-2-yl)-N'-propan-2-ylpropane-1,3-diamine

C13H30N2S — CID 112664989

IUPACN,2,2-trimethyl-N-(1-methylsulfanylpropan-2-yl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCSCC(C)N(C)CC(C)(C)CNC(C)C
InChIInChI=1S/C13H30N2S/c1-11(2)14-9-13(4,5)10-15(6)12(3)8-16-7/h11-12,14H,8-10H2,1-7H3
InChIKeyKALWABBUJYWGOZ-UHFFFAOYSA-N
MW246.46 g/mol
LogP2.69
Rot. Bonds8

About N,2,2-trimethyl-N-(1-methylsulfanylpropan-2-yl)-N'-propan-2-ylpropane-1,3-diamine

N,2,2-trimethyl-N-(1-methylsulfanylpropan-2-yl)-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 112664989) has the molecular formula C13H30N2S and a molecular weight of 246.46 g/mol. Its IUPAC name is N,2,2-trimethyl-N-(1-methylsulfanylpropan-2-yl)-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN,2,2-trimethyl-N-(1-methylsulfanylpropan-2-yl)-N'-propan-2-ylpropane-1,3-diamine
PubChem CID112664989
Molecular FormulaC13H30N2S
Molecular Weight246.46 g/mol
Exact Mass246.21
IUPAC NameN,2,2-trimethyl-N-(1-methylsulfanylpropan-2-yl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCSCC(C)N(C)CC(C)(C)CNC(C)C
InChIInChI=1S/C13H30N2S/c1-11(2)14-9-13(4,5)10-15(6)12(3)8-16-7/h11-12,14H,8-10H2,1-7H3
InChIKeyKALWABBUJYWGOZ-UHFFFAOYSA-N
XLogP2.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.46
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-N',2,2-trimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
CID 112664988
N-(1-methoxypropan-2-yl)-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62257806
N,2,2-trimethyl-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62257913
N,N',2,2-tetramethyl-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine
CID 112664882
2,2-diethyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
CID 112661269
N-methyl-1-methylsulfanyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]propan-2-amine
CID 112664977
1-[ethyl(methyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 66335154
N-(cyclopropylmethyl)-2,2-dimethyl-N,N'-di(propan-2-yl)propane-1,3-diamine
CID 55056354
N-(2,2-dimethylpropyl)-2,2-diethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 62260356
3-bromo-N,2,2-trimethyl-N-(1-methylsulfanylbutan-2-yl)propan-1-amine
CID 112663720
3-N-methyl-3-N-(2-methylsulfanylethyl)-1-N-propan-2-ylbutane-1,3-diamine
CID 112665568
2-N-methyl-2-N-(2-methylsulfanylethyl)-1-N-propan-2-ylbutane-1,2-diamine
CID 112665572

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-(1-methylsulfanylpropan-2-yl)-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N,2,2-trimethyl-N-(1-methylsulfanylpropan-2-yl)-N'-propan-2-ylpropane-1,3-diamine (CID 112664989) is N,2,2-trimethyl-N-(1-methylsulfanylpropan-2-yl)-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N,2,2-trimethyl-N-(1-methylsulfanylpropan-2-yl)-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N,2,2-trimethyl-N-(1-methylsulfanylpropan-2-yl)-N'-propan-2-ylpropane-1,3-diamine is CSCC(C)N(C)CC(C)(C)CNC(C)C.
What is the InChIKey of N,2,2-trimethyl-N-(1-methylsulfanylpropan-2-yl)-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is KALWABBUJYWGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2S/c1-11(2)14-9-13(4,5)10-15(6)12(3)8-16-7/h11-12,14H,8-10H2,1-7H3.
What are the key properties of N,2,2-trimethyl-N-(1-methylsulfanylpropan-2-yl)-N'-propan-2-ylpropane-1,3-diamine?
N,2,2-trimethyl-N-(1-methylsulfanylpropan-2-yl)-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 246.46 g/mol, XLogP of 2.69, 8 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-(1-methylsulfanylpropan-2-yl)-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 112664989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).