N-methyl-2-(propylsulfanylmethyl)prop-2-en-1-amine

C8H17NS — CID 103068176

IUPACN-methyl-2-(propylsulfanylmethyl)prop-2-en-1-amine
SMILESC=C(CNC)CSCCC
InChIInChI=1S/C8H17NS/c1-4-5-10-7-8(2)6-9-3/h9H,2,4-7H2,1,3H3
InChIKeyJVVXMAZPRLOSTL-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.91
Rot. Bonds6

About N-methyl-2-(propylsulfanylmethyl)prop-2-en-1-amine

N-methyl-2-(propylsulfanylmethyl)prop-2-en-1-amine (PubChem CID 103068176) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is N-methyl-2-(propylsulfanylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-2-(propylsulfanylmethyl)prop-2-en-1-amine
PubChem CID103068176
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC NameN-methyl-2-(propylsulfanylmethyl)prop-2-en-1-amine
SMILESC=C(CNC)CSCCC
InChIInChI=1S/C8H17NS/c1-4-5-10-7-8(2)6-9-3/h9H,2,4-7H2,1,3H3
InChIKeyJVVXMAZPRLOSTL-UHFFFAOYSA-N
XLogP1.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.91
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

N-(2-ethylsulfanylethyl)-3-methylbut-2-en-1-amine
CID 60061027
N-(2-ethylsulfanylethyl)-2-methylprop-2-en-1-amine
CID 60061029
2-methyl-N-(2-methylsulfanylethyl)prop-2-en-1-amine
CID 60695349
2-methyl-N-(3-methylsulfanylpropyl)prop-2-en-1-amine
CID 63967567
N,3-dimethyl-1-propan-2-ylsulfanylbut-3-en-2-amine
CID 79179493
N-[1-(2-methylprop-1-enylsulfanyl)ethyl]propan-1-amine
CID 89177780
1-butylidene-N,3-dimethyl-2H-thiet-2-amine
CID 123663082
N,2-dimethyl-1-propan-2-ylsulfanylprop-2-en-1-amine
CID 124201240
[(2,5-Dihydrothiophen-3-yl)methyl](methyl)amine
CID 125424518
(Z)-N,2-dimethyl-3-methylsulfanylprop-2-en-1-amine
CID 139565675
N,2-dimethyl-5-methylsulfanylpenta-2,3-dien-1-amine
CID 155471975
N-ethyl-3-prop-1-en-2-ylsulfanylpropan-1-amine
CID 163669100

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(propylsulfanylmethyl)prop-2-en-1-amine?
The IUPAC name of N-methyl-2-(propylsulfanylmethyl)prop-2-en-1-amine (CID 103068176) is N-methyl-2-(propylsulfanylmethyl)prop-2-en-1-amine.
What is the SMILES notation for N-methyl-2-(propylsulfanylmethyl)prop-2-en-1-amine?
The canonical SMILES for N-methyl-2-(propylsulfanylmethyl)prop-2-en-1-amine is C=C(CNC)CSCCC.
What is the InChIKey of N-methyl-2-(propylsulfanylmethyl)prop-2-en-1-amine?
The InChIKey is JVVXMAZPRLOSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-4-5-10-7-8(2)6-9-3/h9H,2,4-7H2,1,3H3.
What are the key properties of N-methyl-2-(propylsulfanylmethyl)prop-2-en-1-amine?
N-methyl-2-(propylsulfanylmethyl)prop-2-en-1-amine has a molecular weight of 159.30 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(propylsulfanylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 103068176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).