N,2-dimethyl-N-propan-2-yl-3-prop-1-en-2-ylsulfanylpropan-1-amine

C11H23NS — CID 170131464

IUPACN,2-dimethyl-N-propan-2-yl-3-prop-1-en-2-ylsulfanylpropan-1-amine
SMILESC=C(C)SCC(C)CN(C)C(C)C
InChIInChI=1S/C11H23NS/c1-9(2)12(6)7-11(5)8-13-10(3)4/h9,11H,3,7-8H2,1-2,4-6H3
InChIKeyWREZBAMJPMPUAT-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.23
Rot. Bonds6

About N,2-dimethyl-N-propan-2-yl-3-prop-1-en-2-ylsulfanylpropan-1-amine

N,2-dimethyl-N-propan-2-yl-3-prop-1-en-2-ylsulfanylpropan-1-amine (PubChem CID 170131464) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is N,2-dimethyl-N-propan-2-yl-3-prop-1-en-2-ylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-propan-2-yl-3-prop-1-en-2-ylsulfanylpropan-1-amine
PubChem CID170131464
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC NameN,2-dimethyl-N-propan-2-yl-3-prop-1-en-2-ylsulfanylpropan-1-amine
SMILESC=C(C)SCC(C)CN(C)C(C)C
InChIInChI=1S/C11H23NS/c1-9(2)12(6)7-11(5)8-13-10(3)4/h9,11H,3,7-8H2,1-2,4-6H3
InChIKeyWREZBAMJPMPUAT-UHFFFAOYSA-N
XLogP3.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-propan-2-yl-3-prop-1-en-2-ylsulfanylpropan-1-amine?
The IUPAC name of N,2-dimethyl-N-propan-2-yl-3-prop-1-en-2-ylsulfanylpropan-1-amine (CID 170131464) is N,2-dimethyl-N-propan-2-yl-3-prop-1-en-2-ylsulfanylpropan-1-amine.
What is the SMILES notation for N,2-dimethyl-N-propan-2-yl-3-prop-1-en-2-ylsulfanylpropan-1-amine?
The canonical SMILES for N,2-dimethyl-N-propan-2-yl-3-prop-1-en-2-ylsulfanylpropan-1-amine is C=C(C)SCC(C)CN(C)C(C)C.
What is the InChIKey of N,2-dimethyl-N-propan-2-yl-3-prop-1-en-2-ylsulfanylpropan-1-amine?
The InChIKey is WREZBAMJPMPUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-9(2)12(6)7-11(5)8-13-10(3)4/h9,11H,3,7-8H2,1-2,4-6H3.
What are the key properties of N,2-dimethyl-N-propan-2-yl-3-prop-1-en-2-ylsulfanylpropan-1-amine?
N,2-dimethyl-N-propan-2-yl-3-prop-1-en-2-ylsulfanylpropan-1-amine has a molecular weight of 201.38 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-propan-2-yl-3-prop-1-en-2-ylsulfanylpropan-1-amine is sourced from PubChem (CID 170131464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).