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

C9H15N — CID 53419505

IUPAC1-ethyl-N-methylcyclohexa-2,4-dien-1-amine
SMILESCCC1(NC)C=CC=CC1
InChIInChI=1S/C9H15N/c1-3-9(10-2)7-5-4-6-8-9/h4-7,10H,3,8H2,1-2H3
InChIKeyUINZJGLSYGEXEV-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.87
Rot. Bonds2

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

1-ethyl-N-methylcyclohexa-2,4-dien-1-amine (PubChem CID 53419505) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 1-ethyl-N-methylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name1-ethyl-N-methylcyclohexa-2,4-dien-1-amine
PubChem CID53419505
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name1-ethyl-N-methylcyclohexa-2,4-dien-1-amine
SMILESCCC1(NC)C=CC=CC1
InChIInChI=1S/C9H15N/c1-3-9(10-2)7-5-4-6-8-9/h4-7,10H,3,8H2,1-2H3
InChIKeyUINZJGLSYGEXEV-UHFFFAOYSA-N
XLogP1.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(6S)-4-fluoro-N,1,6-trimethylcyclohexa-2,4-dien-1-amine
CID 134365554
2,2-diethyl-5-fluoro-1H-pyridine
CID 138478316
4-fluoro-1-methyl-N-propylcyclohexa-2,4-dien-1-amine
CID 143108220
N-(tert-butyl)cyclohexa-2,4-dien-1-amine
CID 163304619
3,3-Diethylisoquinoline
CID 164890311
(4Z,6E)-6-fluoro-N,2-dimethylnona-4,6,8-trien-2-amine
CID 143410980
N-ethyl-1-methylcyclohexa-2,4-dien-1-amine
CID 21273780
N-methyldihydrophenethylamine
CID 21325368
2-ethyl-2-methyl-1H-pyridine
CID 21692179
N,6-dimethylcyclohexa-2,4-dien-1-amine
CID 22084990
2-ethyl-2,5-dimethyl-1H-pyridine
CID 23162595
(1R)-1-ethylcyclohexa-2,4-dien-1-amine
CID 44624339

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-methylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 1-ethyl-N-methylcyclohexa-2,4-dien-1-amine (CID 53419505) is 1-ethyl-N-methylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 1-ethyl-N-methylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 1-ethyl-N-methylcyclohexa-2,4-dien-1-amine is CCC1(NC)C=CC=CC1.
What is the InChIKey of 1-ethyl-N-methylcyclohexa-2,4-dien-1-amine?
The InChIKey is UINZJGLSYGEXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-3-9(10-2)7-5-4-6-8-9/h4-7,10H,3,8H2,1-2H3.
What are the key properties of 1-ethyl-N-methylcyclohexa-2,4-dien-1-amine?
1-ethyl-N-methylcyclohexa-2,4-dien-1-amine has a molecular weight of 137.23 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-methylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 53419505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).