N-methyl-1-(2-methylpropylsulfanyl)hept-6-en-2-amine

C12H25NS — CID 65135738

IUPACN-methyl-1-(2-methylpropylsulfanyl)hept-6-en-2-amine
SMILESC=CCCCC(CSCC(C)C)NC
InChIInChI=1S/C12H25NS/c1-5-6-7-8-12(13-4)10-14-9-11(2)3/h5,11-13H,1,6-10H2,2-4H3
InChIKeySWKGUEPYRMUDOZ-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.32
Rot. Bonds9

About N-methyl-1-(2-methylpropylsulfanyl)hept-6-en-2-amine

N-methyl-1-(2-methylpropylsulfanyl)hept-6-en-2-amine (PubChem CID 65135738) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is N-methyl-1-(2-methylpropylsulfanyl)hept-6-en-2-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methylpropylsulfanyl)hept-6-en-2-amine
PubChem CID65135738
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC NameN-methyl-1-(2-methylpropylsulfanyl)hept-6-en-2-amine
SMILESC=CCCCC(CSCC(C)C)NC
InChIInChI=1S/C12H25NS/c1-5-6-7-8-12(13-4)10-14-9-11(2)3/h5,11-13H,1,6-10H2,2-4H3
InChIKeySWKGUEPYRMUDOZ-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-ethylsulfanyl-N-methylhex-5-en-2-amine
CID 65127590
5-(2-methylpropylsulfanyl)pent-1-ene
CID 130683764
N-methyl-1-(2-methylpropylsulfanyl)butan-2-amine
CID 64610491
N-methyl-1-(2-methylphenyl)sulfanylhept-6-en-2-amine
CID 66098431
N-methyl-1-(2-methylpropylsulfanyl)-5-phenylpentan-2-amine
CID 65135577
1-(2-fluorophenyl)sulfanyl-N-methylhept-6-en-2-amine
CID 66054051
N-methylpentadec-1-en-8-amine
CID 107011425
1-ethoxy-N-methylnon-8-en-4-amine
CID 105153065
25-methylhexacos-1-ene
CID 141407501
26-methylheptacos-1-ene
CID 154926473
1-(1,3-dioxolan-2-yl)-N-methylnon-8-en-2-amine
CID 107011903
N-methyloct-7-en-2-amine
CID 64502847

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylpropylsulfanyl)hept-6-en-2-amine?
The IUPAC name of N-methyl-1-(2-methylpropylsulfanyl)hept-6-en-2-amine (CID 65135738) is N-methyl-1-(2-methylpropylsulfanyl)hept-6-en-2-amine.
What is the SMILES notation for N-methyl-1-(2-methylpropylsulfanyl)hept-6-en-2-amine?
The canonical SMILES for N-methyl-1-(2-methylpropylsulfanyl)hept-6-en-2-amine is C=CCCCC(CSCC(C)C)NC.
What is the InChIKey of N-methyl-1-(2-methylpropylsulfanyl)hept-6-en-2-amine?
The InChIKey is SWKGUEPYRMUDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-5-6-7-8-12(13-4)10-14-9-11(2)3/h5,11-13H,1,6-10H2,2-4H3.
What are the key properties of N-methyl-1-(2-methylpropylsulfanyl)hept-6-en-2-amine?
N-methyl-1-(2-methylpropylsulfanyl)hept-6-en-2-amine has a molecular weight of 215.41 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylpropylsulfanyl)hept-6-en-2-amine is sourced from PubChem (CID 65135738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).