N,N-diethyl-6-methylidenecyclohexa-2,4-dien-1-amine

C11H17N — CID 69005155

IUPACN,N-diethyl-6-methylidenecyclohexa-2,4-dien-1-amine
SMILESC=C1C=CC=CC1N(CC)CC
InChIInChI=1S/C11H17N/c1-4-12(5-2)11-9-7-6-8-10(11)3/h6-9,11H,3-5H2,1-2H3
InChIKeyJELQDTUXEIRMLD-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.38
Rot. Bonds3

About N,N-diethyl-6-methylidenecyclohexa-2,4-dien-1-amine

N,N-diethyl-6-methylidenecyclohexa-2,4-dien-1-amine (PubChem CID 69005155) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is N,N-diethyl-6-methylidenecyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN,N-diethyl-6-methylidenecyclohexa-2,4-dien-1-amine
PubChem CID69005155
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC NameN,N-diethyl-6-methylidenecyclohexa-2,4-dien-1-amine
SMILESC=C1C=CC=CC1N(CC)CC
InChIInChI=1S/C11H17N/c1-4-12(5-2)11-9-7-6-8-10(11)3/h6-9,11H,3-5H2,1-2H3
InChIKeyJELQDTUXEIRMLD-UHFFFAOYSA-N
XLogP2.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-methylidenecyclohexa-2,4-dien-1-amine?
The IUPAC name of N,N-diethyl-6-methylidenecyclohexa-2,4-dien-1-amine (CID 69005155) is N,N-diethyl-6-methylidenecyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N,N-diethyl-6-methylidenecyclohexa-2,4-dien-1-amine?
The canonical SMILES for N,N-diethyl-6-methylidenecyclohexa-2,4-dien-1-amine is C=C1C=CC=CC1N(CC)CC.
What is the InChIKey of N,N-diethyl-6-methylidenecyclohexa-2,4-dien-1-amine?
The InChIKey is JELQDTUXEIRMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-4-12(5-2)11-9-7-6-8-10(11)3/h6-9,11H,3-5H2,1-2H3.
What are the key properties of N,N-diethyl-6-methylidenecyclohexa-2,4-dien-1-amine?
N,N-diethyl-6-methylidenecyclohexa-2,4-dien-1-amine has a molecular weight of 163.26 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-methylidenecyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 69005155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).