2-[7-[2-(dimethylamino)ethylsulfanyl]-4,8-dimethylnonan-3-yl]sulfanyl-N,N-dimethylethanamine

C19H42N2S2 — CID 167035324

IUPAC2-[7-[2-(dimethylamino)ethylsulfanyl]-4,8-dimethylnonan-3-yl]sulfanyl-N,N-dimethylethanamine
SMILESCCC(SCCN(C)C)C(C)CCC(SCCN(C)C)C(C)C
InChIInChI=1S/C19H42N2S2/c1-9-18(22-14-12-20(5)6)17(4)10-11-19(16(2)3)23-15-13-21(7)8/h16-19H,9-15H2,1-8H3
InChIKeyDKMOJWZLCHZVTB-UHFFFAOYSA-N
MW362.69 g/mol
LogP4.80
Rot. Bonds14

About 2-[7-[2-(dimethylamino)ethylsulfanyl]-4,8-dimethylnonan-3-yl]sulfanyl-N,N-dimethylethanamine

2-[7-[2-(dimethylamino)ethylsulfanyl]-4,8-dimethylnonan-3-yl]sulfanyl-N,N-dimethylethanamine (PubChem CID 167035324) has the molecular formula C19H42N2S2 and a molecular weight of 362.69 g/mol. Its IUPAC name is 2-[7-[2-(dimethylamino)ethylsulfanyl]-4,8-dimethylnonan-3-yl]sulfanyl-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[7-[2-(dimethylamino)ethylsulfanyl]-4,8-dimethylnonan-3-yl]sulfanyl-N,N-dimethylethanamine
PubChem CID167035324
Molecular FormulaC19H42N2S2
Molecular Weight362.69 g/mol
Exact Mass362.28
IUPAC Name2-[7-[2-(dimethylamino)ethylsulfanyl]-4,8-dimethylnonan-3-yl]sulfanyl-N,N-dimethylethanamine
SMILESCCC(SCCN(C)C)C(C)CCC(SCCN(C)C)C(C)C
InChIInChI=1S/C19H42N2S2/c1-9-18(22-14-12-20(5)6)17(4)10-11-19(16(2)3)23-15-13-21(7)8/h16-19H,9-15H2,1-8H3
InChIKeyDKMOJWZLCHZVTB-UHFFFAOYSA-N
XLogP4.80
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.69
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-(2-octadecylhenicosyldisulfanyl)ethanamine
CID 87261801
2-methylnonane;N-methyl-N-propylpropan-1-amine;1-propylsulfanylpropane
CID 91482705
2-(3-butyl-3-methyldecyl)sulfanyl-N,N-dimethylethanamine
CID 129121245
2-(3-ethyl-3-methylnonyl)sulfanyl-N,N-dimethylethanamine
CID 129124810
N,N-diethyl-2-(2-hexyl-2-methylnonyl)sulfanylethanamine
CID 134332053
N-[2-(3,7-dimethyloctylsulfanyl)ethyl]-N-propylpropan-1-amine
CID 155023428
N,N-dimethyl-2-(3-pentylnonyldisulfanyl)ethanamine
CID 155037962
2-(3-butyl-3-methylheptyl)sulfanyl-N,N-dimethylethanamine
CID 155140542
N,N-dimethyl-2-[4-methyl-1-(4-methylcyclohexyl)pentan-3-yl]sulfanylethanamine
CID 163268442
N,N-dimethyl-2-(2-propylhexylsulfanyl)ethanamine
CID 163268457
2-[2-[3-[2-(dimethylamino)ethylsulfanyl]-4-methylpentyl]cyclohexyl]sulfanyl-N,N-dimethylethanamine
CID 163268492
2-[2-[3,7-bis[2-(dimethylamino)ethylsulfanyl]-4,8-dimethylnonyl]cyclohexyl]sulfanyl-N,N-dimethylethanamine
CID 163268500

Frequently Asked Questions

What is the IUPAC name of 2-[7-[2-(dimethylamino)ethylsulfanyl]-4,8-dimethylnonan-3-yl]sulfanyl-N,N-dimethylethanamine?
The IUPAC name of 2-[7-[2-(dimethylamino)ethylsulfanyl]-4,8-dimethylnonan-3-yl]sulfanyl-N,N-dimethylethanamine (CID 167035324) is 2-[7-[2-(dimethylamino)ethylsulfanyl]-4,8-dimethylnonan-3-yl]sulfanyl-N,N-dimethylethanamine.
What is the SMILES notation for 2-[7-[2-(dimethylamino)ethylsulfanyl]-4,8-dimethylnonan-3-yl]sulfanyl-N,N-dimethylethanamine?
The canonical SMILES for 2-[7-[2-(dimethylamino)ethylsulfanyl]-4,8-dimethylnonan-3-yl]sulfanyl-N,N-dimethylethanamine is CCC(SCCN(C)C)C(C)CCC(SCCN(C)C)C(C)C.
What is the InChIKey of 2-[7-[2-(dimethylamino)ethylsulfanyl]-4,8-dimethylnonan-3-yl]sulfanyl-N,N-dimethylethanamine?
The InChIKey is DKMOJWZLCHZVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N2S2/c1-9-18(22-14-12-20(5)6)17(4)10-11-19(16(2)3)23-15-13-21(7)8/h16-19H,9-15H2,1-8H3.
What are the key properties of 2-[7-[2-(dimethylamino)ethylsulfanyl]-4,8-dimethylnonan-3-yl]sulfanyl-N,N-dimethylethanamine?
2-[7-[2-(dimethylamino)ethylsulfanyl]-4,8-dimethylnonan-3-yl]sulfanyl-N,N-dimethylethanamine has a molecular weight of 362.69 g/mol, XLogP of 4.80, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[2-(dimethylamino)ethylsulfanyl]-4,8-dimethylnonan-3-yl]sulfanyl-N,N-dimethylethanamine is sourced from PubChem (CID 167035324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).