N-(4-methylsulfanylbutyl)hexan-2-amine

C11H25NS — CID 115721503

IUPACN-(4-methylsulfanylbutyl)hexan-2-amine
SMILESCCCCC(C)NCCCCSC
InChIInChI=1S/C11H25NS/c1-4-5-8-11(2)12-9-6-7-10-13-3/h11-12H,4-10H2,1-3H3
InChIKeyWPRLDMKRNLQZAR-UHFFFAOYSA-N
MW203.39 g/mol
LogP3.30
Rot. Bonds9

About N-(4-methylsulfanylbutyl)hexan-2-amine

N-(4-methylsulfanylbutyl)hexan-2-amine (PubChem CID 115721503) has the molecular formula C11H25NS and a molecular weight of 203.39 g/mol. Its IUPAC name is N-(4-methylsulfanylbutyl)hexan-2-amine.

Molecular Properties

Compound NameN-(4-methylsulfanylbutyl)hexan-2-amine
PubChem CID115721503
Molecular FormulaC11H25NS
Molecular Weight203.39 g/mol
Exact Mass203.17
IUPAC NameN-(4-methylsulfanylbutyl)hexan-2-amine
SMILESCCCCC(C)NCCCCSC
InChIInChI=1S/C11H25NS/c1-4-5-8-11(2)12-9-6-7-10-13-3/h11-12H,4-10H2,1-3H3
InChIKeyWPRLDMKRNLQZAR-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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

4-(4-methylsulfanylbutylamino)pentan-1-ol
CID 115972036
N-heptan-2-ylheptan-1-amine
CID 43572726
N-octan-2-ylnonan-1-amine
CID 63491715
N-heptan-2-yldodecan-1-amine
CID 63491878
N-octan-2-ylundecan-1-amine
CID 150124606
6,6,6-trifluoro-N-(3-methylsulfanylpropyl)hexan-2-amine
CID 116534805
N-butylundecan-2-amine
CID 90035852
N-pentan-2-ylheptan-1-amine
CID 43129169
3-methyl-N-(4-methylsulfanylbutyl)butan-2-amine
CID 115721446
(4R)-4-(octylamino)pentan-1-ol
CID 98118615
5-(hexan-2-ylamino)pentanamide
CID 106234439
(2S)-4-methyl-N-(3-methylsulfanylpropyl)pentan-2-amine
CID 59084806

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylbutyl)hexan-2-amine?
The IUPAC name of N-(4-methylsulfanylbutyl)hexan-2-amine (CID 115721503) is N-(4-methylsulfanylbutyl)hexan-2-amine.
What is the SMILES notation for N-(4-methylsulfanylbutyl)hexan-2-amine?
The canonical SMILES for N-(4-methylsulfanylbutyl)hexan-2-amine is CCCCC(C)NCCCCSC.
What is the InChIKey of N-(4-methylsulfanylbutyl)hexan-2-amine?
The InChIKey is WPRLDMKRNLQZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NS/c1-4-5-8-11(2)12-9-6-7-10-13-3/h11-12H,4-10H2,1-3H3.
What are the key properties of N-(4-methylsulfanylbutyl)hexan-2-amine?
N-(4-methylsulfanylbutyl)hexan-2-amine has a molecular weight of 203.39 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylbutyl)hexan-2-amine is sourced from PubChem (CID 115721503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).