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

C9H19NS — CID 103068141

IUPACN-methyl-2-(2-methylpropylsulfanylmethyl)prop-2-en-1-amine
SMILESC=C(CNC)CSCC(C)C
InChIInChI=1S/C9H19NS/c1-8(2)6-11-7-9(3)5-10-4/h8,10H,3,5-7H2,1-2,4H3
InChIKeyMREMMUPSPVJXRM-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.15
Rot. Bonds6

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

N-methyl-2-(2-methylpropylsulfanylmethyl)prop-2-en-1-amine (PubChem CID 103068141) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is N-methyl-2-(2-methylpropylsulfanylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-2-(2-methylpropylsulfanylmethyl)prop-2-en-1-amine
PubChem CID103068141
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC NameN-methyl-2-(2-methylpropylsulfanylmethyl)prop-2-en-1-amine
SMILESC=C(CNC)CSCC(C)C
InChIInChI=1S/C9H19NS/c1-8(2)6-11-7-9(3)5-10-4/h8,10H,3,5-7H2,1-2,4H3
InChIKeyMREMMUPSPVJXRM-UHFFFAOYSA-N
XLogP2.15
TPSA12.03 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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylsulfanylethyl)-2-methylprop-2-en-1-amine
CID 60061029
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
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
3-buta-1,3-dien-2-ylsulfanyl-N,2-dimethylpropan-1-amine
CID 155002060
N,2-dimethyl-5-methylsulfanylpenta-2,3-dien-1-amine
CID 155471975
2-Methyl-1-(3-methylbutylsulfanyl)prop-2-en-1-amine
CID 155472919
N-ethyl-3-prop-1-en-2-ylsulfanylpropan-1-amine
CID 163669100
ethane;(E)-3-ethylsulfanyl-N,2-dimethylprop-2-en-1-amine;prop-1-yne
CID 168998835

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylpropylsulfanylmethyl)prop-2-en-1-amine?
The IUPAC name of N-methyl-2-(2-methylpropylsulfanylmethyl)prop-2-en-1-amine (CID 103068141) is N-methyl-2-(2-methylpropylsulfanylmethyl)prop-2-en-1-amine.
What is the SMILES notation for N-methyl-2-(2-methylpropylsulfanylmethyl)prop-2-en-1-amine?
The canonical SMILES for N-methyl-2-(2-methylpropylsulfanylmethyl)prop-2-en-1-amine is C=C(CNC)CSCC(C)C.
What is the InChIKey of N-methyl-2-(2-methylpropylsulfanylmethyl)prop-2-en-1-amine?
The InChIKey is MREMMUPSPVJXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-8(2)6-11-7-9(3)5-10-4/h8,10H,3,5-7H2,1-2,4H3.
What are the key properties of N-methyl-2-(2-methylpropylsulfanylmethyl)prop-2-en-1-amine?
N-methyl-2-(2-methylpropylsulfanylmethyl)prop-2-en-1-amine has a molecular weight of 173.32 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylpropylsulfanylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 103068141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).