N,2-dimethyl-3-methylsulfanyl-N-propan-2-ylpropan-1-amine;ethane

C11H27NS — CID 142151836

IUPACN,2-dimethyl-3-methylsulfanyl-N-propan-2-ylpropan-1-amine;ethane
SMILESCC.CSCC(C)CN(C)C(C)C
InChIInChI=1S/C9H21NS.C2H6/c1-8(2)10(4)6-9(3)7-11-5;1-2/h8-9H,6-7H2,1-5H3;1-2H3
InChIKeyMKOZEYOJRROBAN-UHFFFAOYSA-N
MW205.41 g/mol
LogP3.35
Rot. Bonds5

About N,2-dimethyl-3-methylsulfanyl-N-propan-2-ylpropan-1-amine;ethane

N,2-dimethyl-3-methylsulfanyl-N-propan-2-ylpropan-1-amine;ethane (PubChem CID 142151836) has the molecular formula C11H27NS and a molecular weight of 205.41 g/mol. Its IUPAC name is N,2-dimethyl-3-methylsulfanyl-N-propan-2-ylpropan-1-amine;ethane.

Molecular Properties

Compound NameN,2-dimethyl-3-methylsulfanyl-N-propan-2-ylpropan-1-amine;ethane
PubChem CID142151836
Molecular FormulaC11H27NS
Molecular Weight205.41 g/mol
Exact Mass205.19
IUPAC NameN,2-dimethyl-3-methylsulfanyl-N-propan-2-ylpropan-1-amine;ethane
SMILESCC.CSCC(C)CN(C)C(C)C
InChIInChI=1S/C9H21NS.C2H6/c1-8(2)10(4)6-9(3)7-11-5;1-2/h8-9H,6-7H2,1-5H3;1-2H3
InChIKeyMKOZEYOJRROBAN-UHFFFAOYSA-N
XLogP3.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.41
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-dimethyl-N-propan-2-yl-3-prop-1-en-2-ylsulfanylpropan-1-amine
CID 170131464
(2S)-N-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-amine
CID 166781330
(2S)-1-[methyl(propan-2-yl)amino]propan-2-ol
CID 93346500
2,5-dimethyl-6-[methyl(propan-2-yl)amino]hexan-3-one
CID 59248751
N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)butane-1,4-diamine
CID 112660954
CID 166489938
CID 166489938
3-N-methyl-3-N-propan-2-ylpropane-1,2,3-triamine
CID 115119484
N,3-dimethyl-2-[3-methyl-1-[methyl(propan-2-yl)amino]butan-2-yl]peroxy-N-propan-2-ylbutan-1-amine
CID 126577485
2-methyl-3-[methyl(propan-2-yl)amino]propanenitrile
CID 43367383
1-N,4-dimethyl-1-N-propan-2-ylpentane-1,2-diamine
CID 43199687
2-N-ethyl-1-N,2-N-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 164857720
1-N,3,3-trimethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 16795578

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-methylsulfanyl-N-propan-2-ylpropan-1-amine;ethane?
The IUPAC name of N,2-dimethyl-3-methylsulfanyl-N-propan-2-ylpropan-1-amine;ethane (CID 142151836) is N,2-dimethyl-3-methylsulfanyl-N-propan-2-ylpropan-1-amine;ethane.
What is the SMILES notation for N,2-dimethyl-3-methylsulfanyl-N-propan-2-ylpropan-1-amine;ethane?
The canonical SMILES for N,2-dimethyl-3-methylsulfanyl-N-propan-2-ylpropan-1-amine;ethane is CC.CSCC(C)CN(C)C(C)C.
What is the InChIKey of N,2-dimethyl-3-methylsulfanyl-N-propan-2-ylpropan-1-amine;ethane?
The InChIKey is MKOZEYOJRROBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NS.C2H6/c1-8(2)10(4)6-9(3)7-11-5;1-2/h8-9H,6-7H2,1-5H3;1-2H3.
What are the key properties of N,2-dimethyl-3-methylsulfanyl-N-propan-2-ylpropan-1-amine;ethane?
N,2-dimethyl-3-methylsulfanyl-N-propan-2-ylpropan-1-amine;ethane has a molecular weight of 205.41 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-methylsulfanyl-N-propan-2-ylpropan-1-amine;ethane is sourced from PubChem (CID 142151836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).