2-[pentan-3-yl(9-sulfanylnonyl)amino]ethanol

C16H35NOS — CID 105344178

IUPAC2-[pentan-3-yl(9-sulfanylnonyl)amino]ethanol
SMILESCCC(CC)N(CCO)CCCCCCCCCS
InChIInChI=1S/C16H35NOS/c1-3-16(4-2)17(13-14-18)12-10-8-6-5-7-9-11-15-19/h16,18-19H,3-15H2,1-2H3
InChIKeyDGUHQYGFCDZLKS-UHFFFAOYSA-N
MW289.53 g/mol
LogP4.13
Rot. Bonds14

About 2-[pentan-3-yl(9-sulfanylnonyl)amino]ethanol

2-[pentan-3-yl(9-sulfanylnonyl)amino]ethanol (PubChem CID 105344178) has the molecular formula C16H35NOS and a molecular weight of 289.53 g/mol. Its IUPAC name is 2-[pentan-3-yl(9-sulfanylnonyl)amino]ethanol.

Molecular Properties

Compound Name2-[pentan-3-yl(9-sulfanylnonyl)amino]ethanol
PubChem CID105344178
Molecular FormulaC16H35NOS
Molecular Weight289.53 g/mol
Exact Mass289.24
IUPAC Name2-[pentan-3-yl(9-sulfanylnonyl)amino]ethanol
SMILESCCC(CC)N(CCO)CCCCCCCCCS
InChIInChI=1S/C16H35NOS/c1-3-16(4-2)17(13-14-18)12-10-8-6-5-7-9-11-15-19/h16,18-19H,3-15H2,1-2H3
InChIKeyDGUHQYGFCDZLKS-UHFFFAOYSA-N
XLogP4.13
TPSA23.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.53
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[hept-6-enyl(pentan-3-yl)amino]ethanol
CID 107010089
2-[3-methoxypropyl(pentan-3-yl)amino]ethanol
CID 62015077
2-[(6-amino-5,5-dimethylhexyl)-pentan-3-ylamino]ethanol
CID 106708019
2-[methyl(9-sulfanylnonyl)amino]ethanol
CID 105344075
2-[pentan-3-yl-[2-(sulfanylmethyl)prop-2-enyl]amino]ethanol
CID 103073427
2-[dodecyl(2-hydroxyethyl)amino]tetracosan-1-ol
CID 157153844
5-[methyl(6-sulfanylhexyl)amino]pentan-1-ol
CID 107207379
2-[ethyl(2-hydroxyethyl)amino]butan-1-ol
CID 87456981
N-(2-chloroethyl)-N-pentan-3-ylheptan-1-amine
CID 55184405
2-[methyl(6-sulfanylhexyl)amino]propan-1-ol
CID 104556960
N'-heptyl-N'-pentan-3-ylethane-1,2-diamine
CID 63760495
ethanol;11-sulfanylundecan-1-ol
CID 175180301

Frequently Asked Questions

What is the IUPAC name of 2-[pentan-3-yl(9-sulfanylnonyl)amino]ethanol?
The IUPAC name of 2-[pentan-3-yl(9-sulfanylnonyl)amino]ethanol (CID 105344178) is 2-[pentan-3-yl(9-sulfanylnonyl)amino]ethanol.
What is the SMILES notation for 2-[pentan-3-yl(9-sulfanylnonyl)amino]ethanol?
The canonical SMILES for 2-[pentan-3-yl(9-sulfanylnonyl)amino]ethanol is CCC(CC)N(CCO)CCCCCCCCCS.
What is the InChIKey of 2-[pentan-3-yl(9-sulfanylnonyl)amino]ethanol?
The InChIKey is DGUHQYGFCDZLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NOS/c1-3-16(4-2)17(13-14-18)12-10-8-6-5-7-9-11-15-19/h16,18-19H,3-15H2,1-2H3.
What are the key properties of 2-[pentan-3-yl(9-sulfanylnonyl)amino]ethanol?
2-[pentan-3-yl(9-sulfanylnonyl)amino]ethanol has a molecular weight of 289.53 g/mol, XLogP of 4.13, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[pentan-3-yl(9-sulfanylnonyl)amino]ethanol is sourced from PubChem (CID 105344178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).