(4R)-N,N,10-trimethyl-4-propyl-8-propylsulfanylundecan-1-amine

C20H43NS — CID 166930899

IUPAC(4R)-N,N,10-trimethyl-4-propyl-8-propylsulfanylundecan-1-amine
SMILESCCCSC(CCCC(CCC)CCCN(C)C)CC(C)C
InChIInChI=1S/C20H43NS/c1-7-11-19(13-10-15-21(5)6)12-9-14-20(17-18(3)4)22-16-8-2/h18-20H,7-17H2,1-6H3
InChIKeyUENBUXYPQKEOQD-UHFFFAOYSA-N
MW329.64 g/mol
LogP6.47
Rot. Bonds15

About (4R)-N,N,10-trimethyl-4-propyl-8-propylsulfanylundecan-1-amine

(4R)-N,N,10-trimethyl-4-propyl-8-propylsulfanylundecan-1-amine (PubChem CID 166930899) has the molecular formula C20H43NS and a molecular weight of 329.64 g/mol. Its IUPAC name is (4R)-N,N,10-trimethyl-4-propyl-8-propylsulfanylundecan-1-amine.

Molecular Properties

Compound Name(4R)-N,N,10-trimethyl-4-propyl-8-propylsulfanylundecan-1-amine
PubChem CID166930899
Molecular FormulaC20H43NS
Molecular Weight329.64 g/mol
Exact Mass329.31
IUPAC Name(4R)-N,N,10-trimethyl-4-propyl-8-propylsulfanylundecan-1-amine
SMILESCCCSC(CCCC(CCC)CCCN(C)C)CC(C)C
InChIInChI=1S/C20H43NS/c1-7-11-19(13-10-15-21(5)6)12-9-14-20(17-18(3)4)22-16-8-2/h18-20H,7-17H2,1-6H3
InChIKeyUENBUXYPQKEOQD-UHFFFAOYSA-N
XLogP6.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.64
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-N,N,10-trimethyl-4-propyl-8-propylsulfanylundecan-1-amine?
The IUPAC name of (4R)-N,N,10-trimethyl-4-propyl-8-propylsulfanylundecan-1-amine (CID 166930899) is (4R)-N,N,10-trimethyl-4-propyl-8-propylsulfanylundecan-1-amine.
What is the SMILES notation for (4R)-N,N,10-trimethyl-4-propyl-8-propylsulfanylundecan-1-amine?
The canonical SMILES for (4R)-N,N,10-trimethyl-4-propyl-8-propylsulfanylundecan-1-amine is CCCSC(CCCC(CCC)CCCN(C)C)CC(C)C.
What is the InChIKey of (4R)-N,N,10-trimethyl-4-propyl-8-propylsulfanylundecan-1-amine?
The InChIKey is UENBUXYPQKEOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43NS/c1-7-11-19(13-10-15-21(5)6)12-9-14-20(17-18(3)4)22-16-8-2/h18-20H,7-17H2,1-6H3.
What are the key properties of (4R)-N,N,10-trimethyl-4-propyl-8-propylsulfanylundecan-1-amine?
(4R)-N,N,10-trimethyl-4-propyl-8-propylsulfanylundecan-1-amine has a molecular weight of 329.64 g/mol, XLogP of 6.47, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N,N,10-trimethyl-4-propyl-8-propylsulfanylundecan-1-amine is sourced from PubChem (CID 166930899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).