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

C9H19NS — CID 103880542

IUPAC2-methyl-N-(2-prop-2-enylsulfanylethyl)propan-1-amine
SMILESC=CCSCCNCC(C)C
InChIInChI=1S/C9H19NS/c1-4-6-11-7-5-10-8-9(2)3/h4,9-10H,1,5-8H2,2-3H3
InChIKeyNLSTXSJRZXRFBF-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.15
Rot. Bonds7

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

2-methyl-N-(2-prop-2-enylsulfanylethyl)propan-1-amine (PubChem CID 103880542) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 2-methyl-N-(2-prop-2-enylsulfanylethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-prop-2-enylsulfanylethyl)propan-1-amine
PubChem CID103880542
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name2-methyl-N-(2-prop-2-enylsulfanylethyl)propan-1-amine
SMILESC=CCSCCNCC(C)C
InChIInChI=1S/C9H19NS/c1-4-6-11-7-5-10-8-9(2)3/h4,9-10H,1,5-8H2,2-3H3
InChIKeyNLSTXSJRZXRFBF-UHFFFAOYSA-N
XLogP2.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.15
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

3-fluoro-N-(2-prop-2-enylsulfanylethyl)propan-1-amine
CID 106427514
N-(3-methylsulfanylpropyl)but-3-en-1-amine
CID 57591259
2-methyl-N-(2-propan-2-ylsulfanylethyl)propan-1-amine
CID 57671451
N-(2-ethylsulfanylethyl)-3-methylbut-2-en-1-amine
CID 60061027
N-(2-ethylsulfanylethyl)-2-methylprop-2-en-1-amine
CID 60061029
N-(2-ethylsulfanylethyl)prop-2-en-1-amine
CID 62576296
N-(2-tert-butylsulfanylethyl)-2-methylpropan-1-amine
CID 62576306
(2R)-N-(2,3-dihydrothiophen-3-ylmethyl)butan-2-amine
CID 66612967
N-[1-(2-methylprop-1-enylsulfanyl)ethyl]propan-1-amine
CID 89177780
1-methylsulfanylbutane;N-prop-2-enylpropan-1-amine
CID 141979838
2-[(1Z)-buta-1,3-dienyl]sulfanyl-N-methylethanamine;ethane
CID 142050363
(2E,5E)-N-(2-ethylsulfanylethyl)-7-methylocta-2,5-dien-1-amine
CID 146188186

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-prop-2-enylsulfanylethyl)propan-1-amine?
The IUPAC name of 2-methyl-N-(2-prop-2-enylsulfanylethyl)propan-1-amine (CID 103880542) is 2-methyl-N-(2-prop-2-enylsulfanylethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-prop-2-enylsulfanylethyl)propan-1-amine?
The canonical SMILES for 2-methyl-N-(2-prop-2-enylsulfanylethyl)propan-1-amine is C=CCSCCNCC(C)C.
What is the InChIKey of 2-methyl-N-(2-prop-2-enylsulfanylethyl)propan-1-amine?
The InChIKey is NLSTXSJRZXRFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-4-6-11-7-5-10-8-9(2)3/h4,9-10H,1,5-8H2,2-3H3.
What are the key properties of 2-methyl-N-(2-prop-2-enylsulfanylethyl)propan-1-amine?
2-methyl-N-(2-prop-2-enylsulfanylethyl)propan-1-amine has a molecular weight of 173.32 g/mol, XLogP of 2.15, 7 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)propan-1-amine is sourced from PubChem (CID 103880542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).