(1R)-1-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine

C10H17N — CID 68975876

IUPAC(1R)-1-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine
SMILESCC[C@]1(N(C)C)C=CC=CC1
InChIInChI=1S/C10H17N/c1-4-10(11(2)3)8-6-5-7-9-10/h5-8H,4,9H2,1-3H3/t10-/m0/s1
InChIKeySTHCIJVUBRRPNO-JTQLQIEISA-N
MW151.25 g/mol
LogP2.21
Rot. Bonds2

About (1R)-1-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine

(1R)-1-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine (PubChem CID 68975876) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (1R)-1-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(1R)-1-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine
PubChem CID68975876
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(1R)-1-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine
SMILESCC[C@]1(N(C)C)C=CC=CC1
InChIInChI=1S/C10H17N/c1-4-10(11(2)3)8-6-5-7-9-10/h5-8H,4,9H2,1-3H3/t10-/m0/s1
InChIKeySTHCIJVUBRRPNO-JTQLQIEISA-N
XLogP2.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine?
The IUPAC name of (1R)-1-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine (CID 68975876) is (1R)-1-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for (1R)-1-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for (1R)-1-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine is CC[C@]1(N(C)C)C=CC=CC1.
What is the InChIKey of (1R)-1-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine?
The InChIKey is STHCIJVUBRRPNO-JTQLQIEISA-N. The full InChI is InChI=1S/C10H17N/c1-4-10(11(2)3)8-6-5-7-9-10/h5-8H,4,9H2,1-3H3/t10-/m0/s1.
What are the key properties of (1R)-1-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine?
(1R)-1-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine has a molecular weight of 151.25 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 68975876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).