3-methyl-N-(2-prop-2-ynylsulfanylethyl)pentan-2-amine

C11H21NS — CID 103902534

IUPAC3-methyl-N-(2-prop-2-ynylsulfanylethyl)pentan-2-amine
SMILESC#CCSCCNC(C)C(C)CC
InChIInChI=1S/C11H21NS/c1-5-8-13-9-7-12-11(4)10(3)6-2/h1,10-12H,6-9H2,2-4H3
InChIKeyJGYRVZXAGAHLLZ-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.38
Rot. Bonds7

About 3-methyl-N-(2-prop-2-ynylsulfanylethyl)pentan-2-amine

3-methyl-N-(2-prop-2-ynylsulfanylethyl)pentan-2-amine (PubChem CID 103902534) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 3-methyl-N-(2-prop-2-ynylsulfanylethyl)pentan-2-amine.

Molecular Properties

Compound Name3-methyl-N-(2-prop-2-ynylsulfanylethyl)pentan-2-amine
PubChem CID103902534
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name3-methyl-N-(2-prop-2-ynylsulfanylethyl)pentan-2-amine
SMILESC#CCSCCNC(C)C(C)CC
InChIInChI=1S/C11H21NS/c1-5-8-13-9-7-12-11(4)10(3)6-2/h1,10-12H,6-9H2,2-4H3
InChIKeyJGYRVZXAGAHLLZ-UHFFFAOYSA-N
XLogP2.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-prop-2-ynylsulfanylethyl)pentan-3-amine
CID 103902575
N-(2-prop-2-ynylsulfanylethyl)but-3-yn-2-amine
CID 106428583
methyl 2-(2-prop-2-ynylsulfanylethylamino)propanoate
CID 106426518
2-N-(2-prop-2-ynylsulfanylethyl)propane-1,2-diamine
CID 106426592
4-methoxy-N-(2-prop-2-ynylsulfanylethyl)butan-2-amine
CID 115891473
N'-hydroxy-2-(2-prop-2-ynylsulfanylethylamino)butanimidamide
CID 106429178
N-ethyl-2-(2-prop-2-ynylsulfanylethylamino)propanamide
CID 106428869
1-cyclohexyl-N-(2-prop-2-ynylsulfanylethyl)ethanamine
CID 115677247
1-phenyl-N-(2-prop-2-ynylsulfanylethyl)ethanamine
CID 115668118
1-(2-methoxyphenyl)-N-(2-prop-2-ynylsulfanylethyl)propan-1-amine
CID 103902552
1-(4-chlorophenyl)-N-(2-prop-2-ynylsulfanylethyl)propan-1-amine
CID 113348660
1-(4-ethylphenyl)-N-(2-prop-2-ynylsulfanylethyl)propan-1-amine
CID 114187320

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-prop-2-ynylsulfanylethyl)pentan-2-amine?
The IUPAC name of 3-methyl-N-(2-prop-2-ynylsulfanylethyl)pentan-2-amine (CID 103902534) is 3-methyl-N-(2-prop-2-ynylsulfanylethyl)pentan-2-amine.
What is the SMILES notation for 3-methyl-N-(2-prop-2-ynylsulfanylethyl)pentan-2-amine?
The canonical SMILES for 3-methyl-N-(2-prop-2-ynylsulfanylethyl)pentan-2-amine is C#CCSCCNC(C)C(C)CC.
What is the InChIKey of 3-methyl-N-(2-prop-2-ynylsulfanylethyl)pentan-2-amine?
The InChIKey is JGYRVZXAGAHLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-5-8-13-9-7-12-11(4)10(3)6-2/h1,10-12H,6-9H2,2-4H3.
What are the key properties of 3-methyl-N-(2-prop-2-ynylsulfanylethyl)pentan-2-amine?
3-methyl-N-(2-prop-2-ynylsulfanylethyl)pentan-2-amine has a molecular weight of 199.36 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-prop-2-ynylsulfanylethyl)pentan-2-amine is sourced from PubChem (CID 103902534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).