2-ethenyl-2-methyl-5-methylsulfanylpentan-1-amine

C9H19NS — CID 102640361

IUPAC2-ethenyl-2-methyl-5-methylsulfanylpentan-1-amine
SMILESC=CC(C)(CN)CCCSC
InChIInChI=1S/C9H19NS/c1-4-9(2,8-10)6-5-7-11-3/h4H,1,5-8,10H2,2-3H3
InChIKeyLNHHGQYYDAFZPB-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.28
Rot. Bonds6

About 2-ethenyl-2-methyl-5-methylsulfanylpentan-1-amine

2-ethenyl-2-methyl-5-methylsulfanylpentan-1-amine (PubChem CID 102640361) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 2-ethenyl-2-methyl-5-methylsulfanylpentan-1-amine.

Molecular Properties

Compound Name2-ethenyl-2-methyl-5-methylsulfanylpentan-1-amine
PubChem CID102640361
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name2-ethenyl-2-methyl-5-methylsulfanylpentan-1-amine
SMILESC=CC(C)(CN)CCCSC
InChIInChI=1S/C9H19NS/c1-4-9(2,8-10)6-5-7-11-3/h4H,1,5-8,10H2,2-3H3
InChIKeyLNHHGQYYDAFZPB-UHFFFAOYSA-N
XLogP2.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-propyl-3H-thiophen-2-yl)methanamine
CID 57030913
(1R)-1-(2,3-dihydrothiophen-2-yl)-2,2-dimethylpropan-1-amine
CID 89098949
1-(2,3-Dihydrothiophen-2-yl)-2,2-dimethylpropan-1-amine
CID 89205434
2-Methyl-4-methylsulfanylhex-5-en-1-amine
CID 146259136
2-(2,3-dihydrothiophen-2-yl)-N,2-dimethylpropan-1-amine
CID 155439741
1-(1-Amino-2,4,4-trimethyl-5-prop-2-enylsulfanylpentan-2-yl)sulfanyl-3-methylbut-3-ene-2-thiol
CID 166755666
(Z)-3-(aminomethyl)-3-ethenyl-4-methylhex-1-ene-1-thiol
CID 167241920
(Z)-2-ethenylsulfanyl-3,3-dimethylhept-1-en-1-amine
CID 169816075
2-Methyl-2-(2-methylsulfanylethyl)but-3-en-1-amine
CID 102640267
2-Ethenyl-2-methyl-5-methylsulfonylpentan-1-amine
CID 102640295
2-Ethenyl-5-ethylsulfanyl-2-methylpentan-1-amine
CID 102640383
2-(2-Ethylsulfanylethyl)-2-methylbut-3-en-1-amine
CID 102640434

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2-methyl-5-methylsulfanylpentan-1-amine?
The IUPAC name of 2-ethenyl-2-methyl-5-methylsulfanylpentan-1-amine (CID 102640361) is 2-ethenyl-2-methyl-5-methylsulfanylpentan-1-amine.
What is the SMILES notation for 2-ethenyl-2-methyl-5-methylsulfanylpentan-1-amine?
The canonical SMILES for 2-ethenyl-2-methyl-5-methylsulfanylpentan-1-amine is C=CC(C)(CN)CCCSC.
What is the InChIKey of 2-ethenyl-2-methyl-5-methylsulfanylpentan-1-amine?
The InChIKey is LNHHGQYYDAFZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-4-9(2,8-10)6-5-7-11-3/h4H,1,5-8,10H2,2-3H3.
What are the key properties of 2-ethenyl-2-methyl-5-methylsulfanylpentan-1-amine?
2-ethenyl-2-methyl-5-methylsulfanylpentan-1-amine has a molecular weight of 173.32 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2-methyl-5-methylsulfanylpentan-1-amine is sourced from PubChem (CID 102640361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).