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

C9H15N — CID 21273780

IUPACN-ethyl-1-methylcyclohexa-2,4-dien-1-amine
SMILESCCNC1(C)C=CC=CC1
InChIInChI=1S/C9H15N/c1-3-10-9(2)7-5-4-6-8-9/h4-7,10H,3,8H2,1-2H3
InChIKeySWSGBJDLTFFCQV-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.87
Rot. Bonds2

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

N-ethyl-1-methylcyclohexa-2,4-dien-1-amine (PubChem CID 21273780) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-ethyl-1-methylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN-ethyl-1-methylcyclohexa-2,4-dien-1-amine
PubChem CID21273780
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-ethyl-1-methylcyclohexa-2,4-dien-1-amine
SMILESCCNC1(C)C=CC=CC1
InChIInChI=1S/C9H15N/c1-3-10-9(2)7-5-4-6-8-9/h4-7,10H,3,8H2,1-2H3
InChIKeySWSGBJDLTFFCQV-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

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CID 23423760
2,2-Dimethyl-1,2,3,6-tetrahydropyridine hydrochloride
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2-Methyl-2-vinylpyridine
CID 20131521
(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
1-N,2-N-diethyl-5-fluoro-1-methylcyclohexa-3,5-diene-1,2-diamine
CID 154420816
1-fluoro-N-propylcyclohexa-2,4-dien-1-amine
CID 163416951
4-fluoro-6-methyl-N-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 166888372
Diethyl-2 methylphenylenediamine
CID 70422147
N-(1-phenylethyl)propan-2-amine;rutherfordium
CID 134973086
N-(tert-butyl)cyclohexa-2,4-dien-1-amine
CID 163304619

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methylcyclohexa-2,4-dien-1-amine?
The IUPAC name of N-ethyl-1-methylcyclohexa-2,4-dien-1-amine (CID 21273780) is N-ethyl-1-methylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N-ethyl-1-methylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for N-ethyl-1-methylcyclohexa-2,4-dien-1-amine is CCNC1(C)C=CC=CC1.
What is the InChIKey of N-ethyl-1-methylcyclohexa-2,4-dien-1-amine?
The InChIKey is SWSGBJDLTFFCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-3-10-9(2)7-5-4-6-8-9/h4-7,10H,3,8H2,1-2H3.
What are the key properties of N-ethyl-1-methylcyclohexa-2,4-dien-1-amine?
N-ethyl-1-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 N-ethyl-1-methylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 21273780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).