N-methyl-4-methylidene-1-(2-methylpropylsulfanyl)hexan-2-amine

C12H25NS — CID 66039722

IUPACN-methyl-4-methylidene-1-(2-methylpropylsulfanyl)hexan-2-amine
SMILESC=C(CC)CC(CSCC(C)C)NC
InChIInChI=1S/C12H25NS/c1-6-11(4)7-12(13-5)9-14-8-10(2)3/h10,12-13H,4,6-9H2,1-3,5H3
InChIKeyFKEPGCKFPHFUKZ-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.32
Rot. Bonds8

About N-methyl-4-methylidene-1-(2-methylpropylsulfanyl)hexan-2-amine

N-methyl-4-methylidene-1-(2-methylpropylsulfanyl)hexan-2-amine (PubChem CID 66039722) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is N-methyl-4-methylidene-1-(2-methylpropylsulfanyl)hexan-2-amine.

Molecular Properties

Compound NameN-methyl-4-methylidene-1-(2-methylpropylsulfanyl)hexan-2-amine
PubChem CID66039722
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC NameN-methyl-4-methylidene-1-(2-methylpropylsulfanyl)hexan-2-amine
SMILESC=C(CC)CC(CSCC(C)C)NC
InChIInChI=1S/C12H25NS/c1-6-11(4)7-12(13-5)9-14-8-10(2)3/h10,12-13H,4,6-9H2,1-3,5H3
InChIKeyFKEPGCKFPHFUKZ-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-methylidene-1-(2-methylpropylsulfanyl)hexan-2-amine?
The IUPAC name of N-methyl-4-methylidene-1-(2-methylpropylsulfanyl)hexan-2-amine (CID 66039722) is N-methyl-4-methylidene-1-(2-methylpropylsulfanyl)hexan-2-amine.
What is the SMILES notation for N-methyl-4-methylidene-1-(2-methylpropylsulfanyl)hexan-2-amine?
The canonical SMILES for N-methyl-4-methylidene-1-(2-methylpropylsulfanyl)hexan-2-amine is C=C(CC)CC(CSCC(C)C)NC.
What is the InChIKey of N-methyl-4-methylidene-1-(2-methylpropylsulfanyl)hexan-2-amine?
The InChIKey is FKEPGCKFPHFUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-6-11(4)7-12(13-5)9-14-8-10(2)3/h10,12-13H,4,6-9H2,1-3,5H3.
What are the key properties of N-methyl-4-methylidene-1-(2-methylpropylsulfanyl)hexan-2-amine?
N-methyl-4-methylidene-1-(2-methylpropylsulfanyl)hexan-2-amine has a molecular weight of 215.41 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-methylidene-1-(2-methylpropylsulfanyl)hexan-2-amine is sourced from PubChem (CID 66039722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).