2-(tert-butylsulfanylmethyl)-N-methylprop-2-en-1-amine

C9H19NS — CID 103068169

IUPAC2-(tert-butylsulfanylmethyl)-N-methylprop-2-en-1-amine
SMILESC=C(CNC)CSC(C)(C)C
InChIInChI=1S/C9H19NS/c1-8(6-10-5)7-11-9(2,3)4/h10H,1,6-7H2,2-5H3
InChIKeyVHJVGODQYZPRBX-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.29
Rot. Bonds4

About 2-(tert-butylsulfanylmethyl)-N-methylprop-2-en-1-amine

2-(tert-butylsulfanylmethyl)-N-methylprop-2-en-1-amine (PubChem CID 103068169) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 2-(tert-butylsulfanylmethyl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(tert-butylsulfanylmethyl)-N-methylprop-2-en-1-amine
PubChem CID103068169
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name2-(tert-butylsulfanylmethyl)-N-methylprop-2-en-1-amine
SMILESC=C(CNC)CSC(C)(C)C
InChIInChI=1S/C9H19NS/c1-8(6-10-5)7-11-9(2,3)4/h10H,1,6-7H2,2-5H3
InChIKeyVHJVGODQYZPRBX-UHFFFAOYSA-N
XLogP2.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.29
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)-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 2-(tert-butylsulfanylmethyl)-N-methylprop-2-en-1-amine?
The IUPAC name of 2-(tert-butylsulfanylmethyl)-N-methylprop-2-en-1-amine (CID 103068169) is 2-(tert-butylsulfanylmethyl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for 2-(tert-butylsulfanylmethyl)-N-methylprop-2-en-1-amine?
The canonical SMILES for 2-(tert-butylsulfanylmethyl)-N-methylprop-2-en-1-amine is C=C(CNC)CSC(C)(C)C.
What is the InChIKey of 2-(tert-butylsulfanylmethyl)-N-methylprop-2-en-1-amine?
The InChIKey is VHJVGODQYZPRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-8(6-10-5)7-11-9(2,3)4/h10H,1,6-7H2,2-5H3.
What are the key properties of 2-(tert-butylsulfanylmethyl)-N-methylprop-2-en-1-amine?
2-(tert-butylsulfanylmethyl)-N-methylprop-2-en-1-amine has a molecular weight of 173.32 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylsulfanylmethyl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 103068169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).