N,N-diethyl-4-methylcyclohexa-2,4-dien-1-amine

C11H19N — CID 89169929

IUPACN,N-diethyl-4-methylcyclohexa-2,4-dien-1-amine
SMILESCCN(CC)C1C=CC(C)=CC1
InChIInChI=1S/C11H19N/c1-4-12(5-2)11-8-6-10(3)7-9-11/h6-8,11H,4-5,9H2,1-3H3
InChIKeyNRUDSWQVUFYVLX-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.60
Rot. Bonds3

About N,N-diethyl-4-methylcyclohexa-2,4-dien-1-amine

N,N-diethyl-4-methylcyclohexa-2,4-dien-1-amine (PubChem CID 89169929) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N,N-diethyl-4-methylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN,N-diethyl-4-methylcyclohexa-2,4-dien-1-amine
PubChem CID89169929
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN,N-diethyl-4-methylcyclohexa-2,4-dien-1-amine
SMILESCCN(CC)C1C=CC(C)=CC1
InChIInChI=1S/C11H19N/c1-4-12(5-2)11-8-6-10(3)7-9-11/h6-8,11H,4-5,9H2,1-3H3
InChIKeyNRUDSWQVUFYVLX-UHFFFAOYSA-N
XLogP2.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-methylcyclohexa-2,4-dien-1-amine?
The IUPAC name of N,N-diethyl-4-methylcyclohexa-2,4-dien-1-amine (CID 89169929) is N,N-diethyl-4-methylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N,N-diethyl-4-methylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for N,N-diethyl-4-methylcyclohexa-2,4-dien-1-amine is CCN(CC)C1C=CC(C)=CC1.
What is the InChIKey of N,N-diethyl-4-methylcyclohexa-2,4-dien-1-amine?
The InChIKey is NRUDSWQVUFYVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-4-12(5-2)11-8-6-10(3)7-9-11/h6-8,11H,4-5,9H2,1-3H3.
What are the key properties of N,N-diethyl-4-methylcyclohexa-2,4-dien-1-amine?
N,N-diethyl-4-methylcyclohexa-2,4-dien-1-amine has a molecular weight of 165.28 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-methylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 89169929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).