(1R)-6-[1-(methylamino)ethyl]-3-methylsulfanylcyclohexa-2,4-dien-1-amine

C10H18N2S — CID 147449462

IUPAC(1R)-6-[1-(methylamino)ethyl]-3-methylsulfanylcyclohexa-2,4-dien-1-amine
SMILESCNC(C)C1C=CC(SC)=C[C@@H]1N
InChIInChI=1S/C10H18N2S/c1-7(12-2)9-5-4-8(13-3)6-10(9)11/h4-7,9-10,12H,11H2,1-3H3/t7?,9?,10-/m0/s1
InChIKeyDXTWWZDMZBLDMT-GDRRJGKNSA-N
MW198.33 g/mol
LogP1.35
Rot. Bonds3

About (1R)-6-[1-(methylamino)ethyl]-3-methylsulfanylcyclohexa-2,4-dien-1-amine

(1R)-6-[1-(methylamino)ethyl]-3-methylsulfanylcyclohexa-2,4-dien-1-amine (PubChem CID 147449462) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is (1R)-6-[1-(methylamino)ethyl]-3-methylsulfanylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(1R)-6-[1-(methylamino)ethyl]-3-methylsulfanylcyclohexa-2,4-dien-1-amine
PubChem CID147449462
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name(1R)-6-[1-(methylamino)ethyl]-3-methylsulfanylcyclohexa-2,4-dien-1-amine
SMILESCNC(C)C1C=CC(SC)=C[C@@H]1N
InChIInChI=1S/C10H18N2S/c1-7(12-2)9-5-4-8(13-3)6-10(9)11/h4-7,9-10,12H,11H2,1-3H3/t7?,9?,10-/m0/s1
InChIKeyDXTWWZDMZBLDMT-GDRRJGKNSA-N
XLogP1.35
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-6-[1-(methylamino)ethyl]-3-methylsulfanylcyclohexa-2,4-dien-1-amine?
The IUPAC name of (1R)-6-[1-(methylamino)ethyl]-3-methylsulfanylcyclohexa-2,4-dien-1-amine (CID 147449462) is (1R)-6-[1-(methylamino)ethyl]-3-methylsulfanylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for (1R)-6-[1-(methylamino)ethyl]-3-methylsulfanylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for (1R)-6-[1-(methylamino)ethyl]-3-methylsulfanylcyclohexa-2,4-dien-1-amine is CNC(C)C1C=CC(SC)=C[C@@H]1N.
What is the InChIKey of (1R)-6-[1-(methylamino)ethyl]-3-methylsulfanylcyclohexa-2,4-dien-1-amine?
The InChIKey is DXTWWZDMZBLDMT-GDRRJGKNSA-N. The full InChI is InChI=1S/C10H18N2S/c1-7(12-2)9-5-4-8(13-3)6-10(9)11/h4-7,9-10,12H,11H2,1-3H3/t7?,9?,10-/m0/s1.
What are the key properties of (1R)-6-[1-(methylamino)ethyl]-3-methylsulfanylcyclohexa-2,4-dien-1-amine?
(1R)-6-[1-(methylamino)ethyl]-3-methylsulfanylcyclohexa-2,4-dien-1-amine has a molecular weight of 198.33 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6-[1-(methylamino)ethyl]-3-methylsulfanylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 147449462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).