4-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine

C10H17N — CID 23391992

IUPAC4-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine
SMILESCCC1=CCC(N(C)C)C=C1
InChIInChI=1S/C10H17N/c1-4-9-5-7-10(8-6-9)11(2)3/h5-7,10H,4,8H2,1-3H3
InChIKeyZJFCGFPFVGTQEO-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.21
Rot. Bonds2

About 4-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine

4-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine (PubChem CID 23391992) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 4-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine
PubChem CID23391992
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name4-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine
SMILESCCC1=CCC(N(C)C)C=C1
InChIInChI=1S/C10H17N/c1-4-9-5-7-10(8-6-9)11(2)3/h5-7,10H,4,8H2,1-3H3
InChIKeyZJFCGFPFVGTQEO-UHFFFAOYSA-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 4-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine (CID 23391992) is 4-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine is CCC1=CCC(N(C)C)C=C1.
What is the InChIKey of 4-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine?
The InChIKey is ZJFCGFPFVGTQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-4-9-5-7-10(8-6-9)11(2)3/h5-7,10H,4,8H2,1-3H3.
What are the key properties of 4-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine?
4-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 4-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 23391992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).