2-methyl-N-(2-prop-2-enylsulfanylethyl)butan-1-amine

C10H21NS — CID 103897032

IUPAC2-methyl-N-(2-prop-2-enylsulfanylethyl)butan-1-amine
SMILESC=CCSCCNCC(C)CC
InChIInChI=1S/C10H21NS/c1-4-7-12-8-6-11-9-10(3)5-2/h4,10-11H,1,5-9H2,2-3H3
InChIKeyCNPWNJAMQBFRQT-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.54
Rot. Bonds8

About 2-methyl-N-(2-prop-2-enylsulfanylethyl)butan-1-amine

2-methyl-N-(2-prop-2-enylsulfanylethyl)butan-1-amine (PubChem CID 103897032) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 2-methyl-N-(2-prop-2-enylsulfanylethyl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-prop-2-enylsulfanylethyl)butan-1-amine
PubChem CID103897032
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name2-methyl-N-(2-prop-2-enylsulfanylethyl)butan-1-amine
SMILESC=CCSCCNCC(C)CC
InChIInChI=1S/C10H21NS/c1-4-7-12-8-6-11-9-10(3)5-2/h4,10-11H,1,5-9H2,2-3H3
InChIKeyCNPWNJAMQBFRQT-UHFFFAOYSA-N
XLogP2.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.54
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-methyl-N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-1-amine
CID 57186297
N-(2-ethylsulfanylethyl)-3-methylbutan-1-amine
CID 62579014
(Z)-5-(ethylamino)-4-methylpent-1-ene-1-thiol
CID 89583688
3-ethenylsulfanyl-2-ethyl-N-methylbut-3-en-1-amine
CID 123829902
(Z)-N-methyl-3-(3-methylbutan-2-ylsulfanyl)prop-2-en-1-amine
CID 146419888
2-methyl-N-(2-methylpropyl)-4-prop-2-enylsulfanylhexan-2-amine
CID 146513862
N-[3-[2-(ethylamino)prop-2-enylsulfanyl]prop-1-en-2-yl]-2-methylbutan-1-amine
CID 153346625
3-buta-1,3-dien-2-ylsulfanyl-N,2-dimethylpropan-1-amine
CID 155002060
N-pentyl-4-prop-2-enylsulfanylpentan-1-amine
CID 173230807
N-ethyl-3-prop-2-enylsulfanylpropan-1-amine
CID 13493114
3-methyl-N-(2-propan-2-ylsulfanylpropyl)butan-1-amine
CID 62576610
N-(2-tert-butylsulfanylethyl)-3-methylbutan-1-amine
CID 62576719

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-prop-2-enylsulfanylethyl)butan-1-amine?
The IUPAC name of 2-methyl-N-(2-prop-2-enylsulfanylethyl)butan-1-amine (CID 103897032) is 2-methyl-N-(2-prop-2-enylsulfanylethyl)butan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-prop-2-enylsulfanylethyl)butan-1-amine?
The canonical SMILES for 2-methyl-N-(2-prop-2-enylsulfanylethyl)butan-1-amine is C=CCSCCNCC(C)CC.
What is the InChIKey of 2-methyl-N-(2-prop-2-enylsulfanylethyl)butan-1-amine?
The InChIKey is CNPWNJAMQBFRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-4-7-12-8-6-11-9-10(3)5-2/h4,10-11H,1,5-9H2,2-3H3.
What are the key properties of 2-methyl-N-(2-prop-2-enylsulfanylethyl)butan-1-amine?
2-methyl-N-(2-prop-2-enylsulfanylethyl)butan-1-amine has a molecular weight of 187.35 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-prop-2-enylsulfanylethyl)butan-1-amine is sourced from PubChem (CID 103897032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).