7-methylsulfanyl-N-nonyldec-1-en-2-amine

C20H41NS — CID 166809385

IUPAC7-methylsulfanyl-N-nonyldec-1-en-2-amine
SMILESC=C(CCCCC(CCC)SC)NCCCCCCCCC
InChIInChI=1S/C20H41NS/c1-5-7-8-9-10-11-14-18-21-19(3)16-12-13-17-20(22-4)15-6-2/h20-21H,3,5-18H2,1-2,4H3
InChIKeyVUZYMYVICYTWQG-UHFFFAOYSA-N
MW327.62 g/mol
LogP6.93
Rot. Bonds17

About 7-methylsulfanyl-N-nonyldec-1-en-2-amine

7-methylsulfanyl-N-nonyldec-1-en-2-amine (PubChem CID 166809385) has the molecular formula C20H41NS and a molecular weight of 327.62 g/mol. Its IUPAC name is 7-methylsulfanyl-N-nonyldec-1-en-2-amine.

Molecular Properties

Compound Name7-methylsulfanyl-N-nonyldec-1-en-2-amine
PubChem CID166809385
Molecular FormulaC20H41NS
Molecular Weight327.62 g/mol
Exact Mass327.30
IUPAC Name7-methylsulfanyl-N-nonyldec-1-en-2-amine
SMILESC=C(CCCCC(CCC)SC)NCCCCCCCCC
InChIInChI=1S/C20H41NS/c1-5-7-8-9-10-11-14-18-21-19(3)16-12-13-17-20(22-4)15-6-2/h20-21H,3,5-18H2,1-2,4H3
InChIKeyVUZYMYVICYTWQG-UHFFFAOYSA-N
XLogP6.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.62
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methylsulfanyl-N-nonyldec-1-en-2-amine?
The IUPAC name of 7-methylsulfanyl-N-nonyldec-1-en-2-amine (CID 166809385) is 7-methylsulfanyl-N-nonyldec-1-en-2-amine.
What is the SMILES notation for 7-methylsulfanyl-N-nonyldec-1-en-2-amine?
The canonical SMILES for 7-methylsulfanyl-N-nonyldec-1-en-2-amine is C=C(CCCCC(CCC)SC)NCCCCCCCCC.
What is the InChIKey of 7-methylsulfanyl-N-nonyldec-1-en-2-amine?
The InChIKey is VUZYMYVICYTWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NS/c1-5-7-8-9-10-11-14-18-21-19(3)16-12-13-17-20(22-4)15-6-2/h20-21H,3,5-18H2,1-2,4H3.
What are the key properties of 7-methylsulfanyl-N-nonyldec-1-en-2-amine?
7-methylsulfanyl-N-nonyldec-1-en-2-amine has a molecular weight of 327.62 g/mol, XLogP of 6.93, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylsulfanyl-N-nonyldec-1-en-2-amine is sourced from PubChem (CID 166809385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).