4-methyl-N-(3-methylsulfanylpropyl)pentan-2-amine

C10H23NS — CID 21355442

IUPAC4-methyl-N-(3-methylsulfanylpropyl)pentan-2-amine
SMILESCSCCCNC(C)CC(C)C
InChIInChI=1S/C10H23NS/c1-9(2)8-10(3)11-6-5-7-12-4/h9-11H,5-8H2,1-4H3
InChIKeyBBRVKEKBMFLGCW-UHFFFAOYSA-N
MW189.37 g/mol
LogP2.76
Rot. Bonds7

About 4-methyl-N-(3-methylsulfanylpropyl)pentan-2-amine

4-methyl-N-(3-methylsulfanylpropyl)pentan-2-amine (PubChem CID 21355442) has the molecular formula C10H23NS and a molecular weight of 189.37 g/mol. Its IUPAC name is 4-methyl-N-(3-methylsulfanylpropyl)pentan-2-amine.

Molecular Properties

Compound Name4-methyl-N-(3-methylsulfanylpropyl)pentan-2-amine
PubChem CID21355442
Molecular FormulaC10H23NS
Molecular Weight189.37 g/mol
Exact Mass189.16
IUPAC Name4-methyl-N-(3-methylsulfanylpropyl)pentan-2-amine
SMILESCSCCCNC(C)CC(C)C
InChIInChI=1S/C10H23NS/c1-9(2)8-10(3)11-6-5-7-12-4/h9-11H,5-8H2,1-4H3
InChIKeyBBRVKEKBMFLGCW-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

4-Methyl-2-(methylamino)pentane-1-thiol
CID 15159720
Ethanethiol, 2-(1,3-dimethylbutyl)amino-, hydrogen sulfate (ester)
CID 209863
1-ethylsulfanyl-3-methyl-N-propan-2-ylbutan-2-amine
CID 21576654
(S)-2-Amino-1-ethylthio-4-methylpentane
CID 54234050
N-[(2R)-2-(methylsulfanylmethyl)butyl]cyclohexanamine
CID 100920931
(2R)-N-butyl-2-(methylsulfanylmethyl)butan-1-amine
CID 134995244
3-(2-Fluoro-2-methylpropyl)thiomorpholine
CID 83816730
4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pentan-2-amine
CID 115710742
5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]hexan-2-amine
CID 115710757
2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pentan-3-amine
CID 115710758
N,2-dimethyl-6-(trifluoromethylsulfanyl)hexan-3-amine
CID 116616644
N-ethyl-2-methyl-6-(trifluoromethylsulfanyl)hexan-3-amine
CID 116616645

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methylsulfanylpropyl)pentan-2-amine?
The IUPAC name of 4-methyl-N-(3-methylsulfanylpropyl)pentan-2-amine (CID 21355442) is 4-methyl-N-(3-methylsulfanylpropyl)pentan-2-amine.
What is the SMILES notation for 4-methyl-N-(3-methylsulfanylpropyl)pentan-2-amine?
The canonical SMILES for 4-methyl-N-(3-methylsulfanylpropyl)pentan-2-amine is CSCCCNC(C)CC(C)C.
What is the InChIKey of 4-methyl-N-(3-methylsulfanylpropyl)pentan-2-amine?
The InChIKey is BBRVKEKBMFLGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NS/c1-9(2)8-10(3)11-6-5-7-12-4/h9-11H,5-8H2,1-4H3.
What are the key properties of 4-methyl-N-(3-methylsulfanylpropyl)pentan-2-amine?
4-methyl-N-(3-methylsulfanylpropyl)pentan-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 4-methyl-N-(3-methylsulfanylpropyl)pentan-2-amine is sourced from PubChem (CID 21355442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).