(6-methylsulfanylcyclohexa-1,5-dien-1-yl)methanamine

C8H13NS — CID 89044124

IUPAC(6-methylsulfanylcyclohexa-1,5-dien-1-yl)methanamine
SMILESCSC1=CCCC=C1CN
InChIInChI=1S/C8H13NS/c1-10-8-5-3-2-4-7(8)6-9/h4-5H,2-3,6,9H2,1H3
InChIKeyVMOHMKAFEDFLJB-UHFFFAOYSA-N
MW155.27 g/mol
LogP1.91
Rot. Bonds2

About (6-methylsulfanylcyclohexa-1,5-dien-1-yl)methanamine

(6-methylsulfanylcyclohexa-1,5-dien-1-yl)methanamine (PubChem CID 89044124) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is (6-methylsulfanylcyclohexa-1,5-dien-1-yl)methanamine.

Molecular Properties

Compound Name(6-methylsulfanylcyclohexa-1,5-dien-1-yl)methanamine
PubChem CID89044124
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name(6-methylsulfanylcyclohexa-1,5-dien-1-yl)methanamine
SMILESCSC1=CCCC=C1CN
InChIInChI=1S/C8H13NS/c1-10-8-5-3-2-4-7(8)6-9/h4-5H,2-3,6,9H2,1H3
InChIKeyVMOHMKAFEDFLJB-UHFFFAOYSA-N
XLogP1.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-methylsulfanylcyclohexa-1,5-dien-1-yl)methanamine?
The IUPAC name of (6-methylsulfanylcyclohexa-1,5-dien-1-yl)methanamine (CID 89044124) is (6-methylsulfanylcyclohexa-1,5-dien-1-yl)methanamine.
What is the SMILES notation for (6-methylsulfanylcyclohexa-1,5-dien-1-yl)methanamine?
The canonical SMILES for (6-methylsulfanylcyclohexa-1,5-dien-1-yl)methanamine is CSC1=CCCC=C1CN.
What is the InChIKey of (6-methylsulfanylcyclohexa-1,5-dien-1-yl)methanamine?
The InChIKey is VMOHMKAFEDFLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-10-8-5-3-2-4-7(8)6-9/h4-5H,2-3,6,9H2,1H3.
What are the key properties of (6-methylsulfanylcyclohexa-1,5-dien-1-yl)methanamine?
(6-methylsulfanylcyclohexa-1,5-dien-1-yl)methanamine has a molecular weight of 155.27 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylsulfanylcyclohexa-1,5-dien-1-yl)methanamine is sourced from PubChem (CID 89044124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).