N-propan-2-yl-N-(1-propylsulfanylethenyl)propan-2-amine

C11H23NS — CID 123347597

IUPACN-propan-2-yl-N-(1-propylsulfanylethenyl)propan-2-amine
SMILESC=C(SCCC)N(C(C)C)C(C)C
InChIInChI=1S/C11H23NS/c1-7-8-13-11(6)12(9(2)3)10(4)5/h9-10H,6-8H2,1-5H3
InChIKeyLVWLJMHQRBCIFW-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.72
Rot. Bonds6

About N-propan-2-yl-N-(1-propylsulfanylethenyl)propan-2-amine

N-propan-2-yl-N-(1-propylsulfanylethenyl)propan-2-amine (PubChem CID 123347597) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is N-propan-2-yl-N-(1-propylsulfanylethenyl)propan-2-amine.

Molecular Properties

Compound NameN-propan-2-yl-N-(1-propylsulfanylethenyl)propan-2-amine
PubChem CID123347597
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC NameN-propan-2-yl-N-(1-propylsulfanylethenyl)propan-2-amine
SMILESC=C(SCCC)N(C(C)C)C(C)C
InChIInChI=1S/C11H23NS/c1-7-8-13-11(6)12(9(2)3)10(4)5/h9-10H,6-8H2,1-5H3
InChIKeyLVWLJMHQRBCIFW-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-butylsulfanyl-N,N-dimethylethenamine
CID 44720585
3-Methyl-4-propan-2-yl-2,3-dihydro-1,4-thiazine
CID 89165988
N-(1-ethylsulfanylethenyl)-N-methylpropan-2-amine
CID 118346185
2,3-di(propan-2-yl)-2H-1,3-thiazole
CID 121260876
N-ethyl-N-(1-ethylsulfanylethenyl)butan-1-amine
CID 123138972
4-Methyl-2-methylidene-3-propan-2-yl-1,3-thiazinane
CID 123339090
Ethyl-dimethyl-(1-methylsulfanylpropan-2-yl)azanium
CID 123524558
N-ethyl-N-(1-methylsulfanylethyl)propan-2-amine
CID 132163852
1-butylsulfanyl-N-ethyl-N-methylethenamine
CID 142050758
N-ethyl-N-methyl-1-propylsulfanylethenamine
CID 142050793
4,4-Dimethyl-2-methylidene-3-propan-2-yl-1,3-thiazolidine
CID 146654755
2-tert-butyl-3-propan-2-yl-2H-1,3-thiazole
CID 164786408

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-(1-propylsulfanylethenyl)propan-2-amine?
The IUPAC name of N-propan-2-yl-N-(1-propylsulfanylethenyl)propan-2-amine (CID 123347597) is N-propan-2-yl-N-(1-propylsulfanylethenyl)propan-2-amine.
What is the SMILES notation for N-propan-2-yl-N-(1-propylsulfanylethenyl)propan-2-amine?
The canonical SMILES for N-propan-2-yl-N-(1-propylsulfanylethenyl)propan-2-amine is C=C(SCCC)N(C(C)C)C(C)C.
What is the InChIKey of N-propan-2-yl-N-(1-propylsulfanylethenyl)propan-2-amine?
The InChIKey is LVWLJMHQRBCIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-7-8-13-11(6)12(9(2)3)10(4)5/h9-10H,6-8H2,1-5H3.
What are the key properties of N-propan-2-yl-N-(1-propylsulfanylethenyl)propan-2-amine?
N-propan-2-yl-N-(1-propylsulfanylethenyl)propan-2-amine has a molecular weight of 201.38 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(1-propylsulfanylethenyl)propan-2-amine is sourced from PubChem (CID 123347597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).