N,N-diethyl-1-hexan-2-ylsulfanylethenamine

C12H25NS — CID 158552579

IUPACN,N-diethyl-1-hexan-2-ylsulfanylethenamine
SMILESC=C(SC(C)CCCC)N(CC)CC
InChIInChI=1S/C12H25NS/c1-6-9-10-11(4)14-12(5)13(7-2)8-3/h11H,5-10H2,1-4H3
InChIKeyBCHFUQRLRBWAOU-UHFFFAOYSA-N
MW215.41 g/mol
LogP4.11
Rot. Bonds8

About N,N-diethyl-1-hexan-2-ylsulfanylethenamine

N,N-diethyl-1-hexan-2-ylsulfanylethenamine (PubChem CID 158552579) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is N,N-diethyl-1-hexan-2-ylsulfanylethenamine.

Molecular Properties

Compound NameN,N-diethyl-1-hexan-2-ylsulfanylethenamine
PubChem CID158552579
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC NameN,N-diethyl-1-hexan-2-ylsulfanylethenamine
SMILESC=C(SC(C)CCCC)N(CC)CC
InChIInChI=1S/C12H25NS/c1-6-9-10-11(4)14-12(5)13(7-2)8-3/h11H,5-10H2,1-4H3
InChIKeyBCHFUQRLRBWAOU-UHFFFAOYSA-N
XLogP4.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-hexan-2-ylsulfanylethenamine?
The IUPAC name of N,N-diethyl-1-hexan-2-ylsulfanylethenamine (CID 158552579) is N,N-diethyl-1-hexan-2-ylsulfanylethenamine.
What is the SMILES notation for N,N-diethyl-1-hexan-2-ylsulfanylethenamine?
The canonical SMILES for N,N-diethyl-1-hexan-2-ylsulfanylethenamine is C=C(SC(C)CCCC)N(CC)CC.
What is the InChIKey of N,N-diethyl-1-hexan-2-ylsulfanylethenamine?
The InChIKey is BCHFUQRLRBWAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-6-9-10-11(4)14-12(5)13(7-2)8-3/h11H,5-10H2,1-4H3.
What are the key properties of N,N-diethyl-1-hexan-2-ylsulfanylethenamine?
N,N-diethyl-1-hexan-2-ylsulfanylethenamine has a molecular weight of 215.41 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-hexan-2-ylsulfanylethenamine is sourced from PubChem (CID 158552579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).