N-methyl-2-pentylsulfanylpentan-3-amine

C11H25NS — CID 107763027

IUPACN-methyl-2-pentylsulfanylpentan-3-amine
SMILESCCCCCSC(C)C(CC)NC
InChIInChI=1S/C11H25NS/c1-5-7-8-9-13-10(3)11(6-2)12-4/h10-12H,5-9H2,1-4H3
InChIKeyBUKCTPULAYKSDF-UHFFFAOYSA-N
MW203.39 g/mol
LogP3.30
Rot. Bonds8

About N-methyl-2-pentylsulfanylpentan-3-amine

N-methyl-2-pentylsulfanylpentan-3-amine (PubChem CID 107763027) has the molecular formula C11H25NS and a molecular weight of 203.39 g/mol. Its IUPAC name is N-methyl-2-pentylsulfanylpentan-3-amine.

Molecular Properties

Compound NameN-methyl-2-pentylsulfanylpentan-3-amine
PubChem CID107763027
Molecular FormulaC11H25NS
Molecular Weight203.39 g/mol
Exact Mass203.17
IUPAC NameN-methyl-2-pentylsulfanylpentan-3-amine
SMILESCCCCCSC(C)C(CC)NC
InChIInChI=1S/C11H25NS/c1-5-7-8-9-13-10(3)11(6-2)12-4/h10-12H,5-9H2,1-4H3
InChIKeyBUKCTPULAYKSDF-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.39
LogP ≤ 53.30
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-ethyl-3-pentylsulfanylbutan-2-amine
CID 107762879
N-ethyl-2-(3-methoxypropylsulfanyl)pentan-3-amine
CID 64627059
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-N-methylpentan-3-amine
CID 104560997
N-methyl-6-pentylsulfanylhexan-2-amine
CID 107763169
3-ethyl-N-methylnonan-4-amine
CID 115837459
N,4-dimethylhexan-3-amine
CID 63559808
3-(methylamino)octan-2-ol
CID 166770320
2-butan-2-ylsulfanyl-3-butylsulfanylbutane
CID 173286004
1-[1-(1-pentylsulfanylethoxy)ethylsulfanyl]pentane
CID 87210973
N,2-dimethyl-1-methylsulfanyltridecan-3-amine
CID 114221941
1-butan-2-ylsulfanylbutane
CID 525455
2-(4-bromobutylsulfanyl)-3-methylbutane
CID 107746902

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-pentylsulfanylpentan-3-amine?
The IUPAC name of N-methyl-2-pentylsulfanylpentan-3-amine (CID 107763027) is N-methyl-2-pentylsulfanylpentan-3-amine.
What is the SMILES notation for N-methyl-2-pentylsulfanylpentan-3-amine?
The canonical SMILES for N-methyl-2-pentylsulfanylpentan-3-amine is CCCCCSC(C)C(CC)NC.
What is the InChIKey of N-methyl-2-pentylsulfanylpentan-3-amine?
The InChIKey is BUKCTPULAYKSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NS/c1-5-7-8-9-13-10(3)11(6-2)12-4/h10-12H,5-9H2,1-4H3.
What are the key properties of N-methyl-2-pentylsulfanylpentan-3-amine?
N-methyl-2-pentylsulfanylpentan-3-amine has a molecular weight of 203.39 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-pentylsulfanylpentan-3-amine is sourced from PubChem (CID 107763027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).