2-(2-methylpropylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine

C11H23NS — CID 103068142

IUPAC2-(2-methylpropylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)CSCC(C)C
InChIInChI=1S/C11H23NS/c1-9(2)7-13-8-11(5)6-12-10(3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyDKCMNRDTAYQFIK-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.93
Rot. Bonds7

About 2-(2-methylpropylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine

2-(2-methylpropylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine (PubChem CID 103068142) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 2-(2-methylpropylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(2-methylpropylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine
PubChem CID103068142
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name2-(2-methylpropylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)CSCC(C)C
InChIInChI=1S/C11H23NS/c1-9(2)7-13-8-11(5)6-12-10(3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyDKCMNRDTAYQFIK-UHFFFAOYSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 52.93
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
3-(2-methylpropylsulfanyl)-N-propan-2-ylpropan-1-amine
CID 61385723
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
(3S)-N,2-dimethyl-5-methylsulfanylpent-1-en-3-amine
CID 87501099
(3S)-N-ethyl-2-methyl-5-methylsulfanylpent-1-en-3-amine
CID 88539134
(3S)-2-methyl-5-methylsulfanyl-N-[(2R)-pentan-2-yl]pent-1-en-3-amine
CID 89062407
(3S)-2-methyl-5-methylsulfanyl-N-propylpent-1-en-3-amine
CID 89375942
N,2-dimethyl-5-methylsulfanylpent-1-en-3-amine
CID 89583271
N,2-dimethyl-1-propan-2-ylsulfanylprop-2-en-1-amine
CID 124201240
5-ethylsulfanyl-N-methyl-3-methylidenepentan-2-amine
CID 156092080
N-ethyl-3-prop-1-en-2-ylsulfanylpropan-1-amine
CID 163669100

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of 2-(2-methylpropylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine (CID 103068142) is 2-(2-methylpropylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for 2-(2-methylpropylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for 2-(2-methylpropylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine is C=C(CNC(C)C)CSCC(C)C.
What is the InChIKey of 2-(2-methylpropylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is DKCMNRDTAYQFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-9(2)7-13-8-11(5)6-12-10(3)4/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 2-(2-methylpropylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine?
2-(2-methylpropylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 201.38 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 103068142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).