4-ethyl-1-(2-methylpropylsulfanyl)-N-propyloctan-2-amine

C17H37NS — CID 65135765

IUPAC4-ethyl-1-(2-methylpropylsulfanyl)-N-propyloctan-2-amine
SMILESCCCCC(CC)CC(CSCC(C)C)NCCC
InChIInChI=1S/C17H37NS/c1-6-9-10-16(8-3)12-17(18-11-7-2)14-19-13-15(4)5/h15-18H,6-14H2,1-5H3
InChIKeyNJZWCSNTLQUIJH-UHFFFAOYSA-N
MW287.56 g/mol
LogP5.35
Rot. Bonds13

About 4-ethyl-1-(2-methylpropylsulfanyl)-N-propyloctan-2-amine

4-ethyl-1-(2-methylpropylsulfanyl)-N-propyloctan-2-amine (PubChem CID 65135765) has the molecular formula C17H37NS and a molecular weight of 287.56 g/mol. Its IUPAC name is 4-ethyl-1-(2-methylpropylsulfanyl)-N-propyloctan-2-amine.

Molecular Properties

Compound Name4-ethyl-1-(2-methylpropylsulfanyl)-N-propyloctan-2-amine
PubChem CID65135765
Molecular FormulaC17H37NS
Molecular Weight287.56 g/mol
Exact Mass287.26
IUPAC Name4-ethyl-1-(2-methylpropylsulfanyl)-N-propyloctan-2-amine
SMILESCCCCC(CC)CC(CSCC(C)C)NCCC
InChIInChI=1S/C17H37NS/c1-6-9-10-16(8-3)12-17(18-11-7-2)14-19-13-15(4)5/h15-18H,6-14H2,1-5H3
InChIKeyNJZWCSNTLQUIJH-UHFFFAOYSA-N
XLogP5.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.56
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylpropylsulfanyl)-N-propylhexan-2-amine
CID 65135368
4-ethyl-1-ethylsulfanyl-N-propylhexan-2-amine
CID 82923156
5-ethyl-1-N,1-N-dimethyl-3-N-propylnonane-1,3-diamine
CID 113291360
6-ethyl-1,1,1-trifluoro-N-propyldecan-4-amine
CID 79964664
(3S)-3-[[(2R)-2-ethylhexyl]sulfanylmethyl]heptane
CID 92525109
1-cyclopropyl-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine
CID 65135768
1-(2-methylpropylsulfanyl)-N-propylhex-4-yn-2-amine
CID 65136852
9-methyl-N-propyldecan-5-amine
CID 83162126
1-cyclopentyl-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine
CID 65134979
5,9-diethyl-7-(2-methylpropyl)tridecane
CID 173141748
4-(4-methoxyphenyl)-1-(2-methylpropylsulfanyl)-N-propylbutan-2-amine
CID 65446675
1-ethylsulfanyl-N-propylnonan-2-amine
CID 65128224

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(2-methylpropylsulfanyl)-N-propyloctan-2-amine?
The IUPAC name of 4-ethyl-1-(2-methylpropylsulfanyl)-N-propyloctan-2-amine (CID 65135765) is 4-ethyl-1-(2-methylpropylsulfanyl)-N-propyloctan-2-amine.
What is the SMILES notation for 4-ethyl-1-(2-methylpropylsulfanyl)-N-propyloctan-2-amine?
The canonical SMILES for 4-ethyl-1-(2-methylpropylsulfanyl)-N-propyloctan-2-amine is CCCCC(CC)CC(CSCC(C)C)NCCC.
What is the InChIKey of 4-ethyl-1-(2-methylpropylsulfanyl)-N-propyloctan-2-amine?
The InChIKey is NJZWCSNTLQUIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NS/c1-6-9-10-16(8-3)12-17(18-11-7-2)14-19-13-15(4)5/h15-18H,6-14H2,1-5H3.
What are the key properties of 4-ethyl-1-(2-methylpropylsulfanyl)-N-propyloctan-2-amine?
4-ethyl-1-(2-methylpropylsulfanyl)-N-propyloctan-2-amine has a molecular weight of 287.56 g/mol, XLogP of 5.35, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(2-methylpropylsulfanyl)-N-propyloctan-2-amine is sourced from PubChem (CID 65135765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).