N-methyl-6-pentylsulfanylhexan-2-amine

C12H27NS — CID 107763169

IUPACN-methyl-6-pentylsulfanylhexan-2-amine
SMILESCCCCCSCCCCC(C)NC
InChIInChI=1S/C12H27NS/c1-4-5-7-10-14-11-8-6-9-12(2)13-3/h12-13H,4-11H2,1-3H3
InChIKeyOYHGVIPAPRILNU-UHFFFAOYSA-N
MW217.42 g/mol
LogP3.69
Rot. Bonds10

About N-methyl-6-pentylsulfanylhexan-2-amine

N-methyl-6-pentylsulfanylhexan-2-amine (PubChem CID 107763169) has the molecular formula C12H27NS and a molecular weight of 217.42 g/mol. Its IUPAC name is N-methyl-6-pentylsulfanylhexan-2-amine.

Molecular Properties

Compound NameN-methyl-6-pentylsulfanylhexan-2-amine
PubChem CID107763169
Molecular FormulaC12H27NS
Molecular Weight217.42 g/mol
Exact Mass217.19
IUPAC NameN-methyl-6-pentylsulfanylhexan-2-amine
SMILESCCCCCSCCCCC(C)NC
InChIInChI=1S/C12H27NS/c1-4-5-7-10-14-11-8-6-9-12(2)13-3/h12-13H,4-11H2,1-3H3
InChIKeyOYHGVIPAPRILNU-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyltetradecan-2-amine
CID 54073704
1-octadecylsulfanyloctacosane
CID 87077538
1-hexylsulfanyl-8-pentylsulfanyloctane
CID 167032436
1-nonylsulfanyldodecane
CID 87077738
1-dodecylsulfanylicosane
CID 87077505
1-tetracosylsulfanyloctacosane
CID 87077758
1-hexylsulfanylicosane
CID 87077585
1-hexylsulfanyloctane
CID 15742910
1-hexylsulfanyloctadecane
CID 21424485
1-hexylsulfanyltetradecane
CID 87077491
1-tetracosylsulfanyltetracosane
CID 14647813
1-heptan-2-yl-2-methylhydrazine
CID 123380974

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-pentylsulfanylhexan-2-amine?
The IUPAC name of N-methyl-6-pentylsulfanylhexan-2-amine (CID 107763169) is N-methyl-6-pentylsulfanylhexan-2-amine.
What is the SMILES notation for N-methyl-6-pentylsulfanylhexan-2-amine?
The canonical SMILES for N-methyl-6-pentylsulfanylhexan-2-amine is CCCCCSCCCCC(C)NC.
What is the InChIKey of N-methyl-6-pentylsulfanylhexan-2-amine?
The InChIKey is OYHGVIPAPRILNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NS/c1-4-5-7-10-14-11-8-6-9-12(2)13-3/h12-13H,4-11H2,1-3H3.
What are the key properties of N-methyl-6-pentylsulfanylhexan-2-amine?
N-methyl-6-pentylsulfanylhexan-2-amine has a molecular weight of 217.42 g/mol, XLogP of 3.69, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-pentylsulfanylhexan-2-amine is sourced from PubChem (CID 107763169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).