3-methyl-N-(4-methylsulfanylbutyl)butan-2-amine

C10H23NS — CID 115721446

IUPAC3-methyl-N-(4-methylsulfanylbutyl)butan-2-amine
SMILESCSCCCCNC(C)C(C)C
InChIInChI=1S/C10H23NS/c1-9(2)10(3)11-7-5-6-8-12-4/h9-11H,5-8H2,1-4H3
InChIKeyNFJVMONCGUQIJV-UHFFFAOYSA-N
MW189.37 g/mol
LogP2.76
Rot. Bonds7

About 3-methyl-N-(4-methylsulfanylbutyl)butan-2-amine

3-methyl-N-(4-methylsulfanylbutyl)butan-2-amine (PubChem CID 115721446) has the molecular formula C10H23NS and a molecular weight of 189.37 g/mol. Its IUPAC name is 3-methyl-N-(4-methylsulfanylbutyl)butan-2-amine.

Molecular Properties

Compound Name3-methyl-N-(4-methylsulfanylbutyl)butan-2-amine
PubChem CID115721446
Molecular FormulaC10H23NS
Molecular Weight189.37 g/mol
Exact Mass189.16
IUPAC Name3-methyl-N-(4-methylsulfanylbutyl)butan-2-amine
SMILESCSCCCCNC(C)C(C)C
InChIInChI=1S/C10H23NS/c1-9(2)10(3)11-7-5-6-8-12-4/h9-11H,5-8H2,1-4H3
InChIKeyNFJVMONCGUQIJV-UHFFFAOYSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.37
LogP ≤ 52.76
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-(3-methylbutan-2-yl)heptan-1-amine
CID 43131205
N-(4-methylsulfanylbutyl)hexan-2-amine
CID 115721503
4-(4-methylsulfanylbutylamino)pentan-1-ol
CID 115972036
N-[1-(1-methylcyclopropyl)ethyl]-6-methylsulfanylhexan-1-amine
CID 104537205
(2S)-2-(4-methylsulfanylbutylamino)butan-1-ol
CID 103088479
4-methylsulfanyl-N-(1-phenylethyl)butan-1-amine
CID 115668102
N-(1-cyclopropylpropan-2-yl)-6-methylsulfanylhexan-1-amine
CID 104537240
(2S)-4-methyl-N-(3-methylsulfanylpropyl)pentan-2-amine
CID 59084806
5-methoxy-N-(3-methylbutan-2-yl)pentan-1-amine
CID 103779817
N-[(1R)-1-(4-methylphenyl)ethyl]-4-methylsulfanylbutan-1-amine
CID 103088204
4-methylsulfanyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine
CID 103088256
1-cyclopropyl-2-methyl-N-(3-methylsulfanylpropyl)propan-1-amine
CID 115721395

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methylsulfanylbutyl)butan-2-amine?
The IUPAC name of 3-methyl-N-(4-methylsulfanylbutyl)butan-2-amine (CID 115721446) is 3-methyl-N-(4-methylsulfanylbutyl)butan-2-amine.
What is the SMILES notation for 3-methyl-N-(4-methylsulfanylbutyl)butan-2-amine?
The canonical SMILES for 3-methyl-N-(4-methylsulfanylbutyl)butan-2-amine is CSCCCCNC(C)C(C)C.
What is the InChIKey of 3-methyl-N-(4-methylsulfanylbutyl)butan-2-amine?
The InChIKey is NFJVMONCGUQIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NS/c1-9(2)10(3)11-7-5-6-8-12-4/h9-11H,5-8H2,1-4H3.
What are the key properties of 3-methyl-N-(4-methylsulfanylbutyl)butan-2-amine?
3-methyl-N-(4-methylsulfanylbutyl)butan-2-amine has a molecular weight of 189.37 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methylsulfanylbutyl)butan-2-amine is sourced from PubChem (CID 115721446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).