N-ethyl-6-(methylideneamino)cyclohexa-2,4-dien-1-amine

C9H14N2 — CID 134288715

IUPACN-ethyl-6-(methylideneamino)cyclohexa-2,4-dien-1-amine
SMILESC=NC1C=CC=CC1NCC
InChIInChI=1S/C9H14N2/c1-3-11-9-7-5-4-6-8(9)10-2/h4-9,11H,2-3H2,1H3
InChIKeyBISCAKCEMJIXJA-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.16
Rot. Bonds3

About N-ethyl-6-(methylideneamino)cyclohexa-2,4-dien-1-amine

N-ethyl-6-(methylideneamino)cyclohexa-2,4-dien-1-amine (PubChem CID 134288715) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is N-ethyl-6-(methylideneamino)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN-ethyl-6-(methylideneamino)cyclohexa-2,4-dien-1-amine
PubChem CID134288715
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC NameN-ethyl-6-(methylideneamino)cyclohexa-2,4-dien-1-amine
SMILESC=NC1C=CC=CC1NCC
InChIInChI=1S/C9H14N2/c1-3-11-9-7-5-4-6-8(9)10-2/h4-9,11H,2-3H2,1H3
InChIKeyBISCAKCEMJIXJA-UHFFFAOYSA-N
XLogP1.16
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(methylideneamino)cyclohexa-2,4-dien-1-amine?
The IUPAC name of N-ethyl-6-(methylideneamino)cyclohexa-2,4-dien-1-amine (CID 134288715) is N-ethyl-6-(methylideneamino)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N-ethyl-6-(methylideneamino)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for N-ethyl-6-(methylideneamino)cyclohexa-2,4-dien-1-amine is C=NC1C=CC=CC1NCC.
What is the InChIKey of N-ethyl-6-(methylideneamino)cyclohexa-2,4-dien-1-amine?
The InChIKey is BISCAKCEMJIXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-3-11-9-7-5-4-6-8(9)10-2/h4-9,11H,2-3H2,1H3.
What are the key properties of N-ethyl-6-(methylideneamino)cyclohexa-2,4-dien-1-amine?
N-ethyl-6-(methylideneamino)cyclohexa-2,4-dien-1-amine has a molecular weight of 150.22 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(methylideneamino)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 134288715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).