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

C9H15N — CID 89354848

IUPACN-ethyl-N-methylcyclohexa-2,4-dien-1-amine
SMILESCCN(C)C1C=CC=CC1
InChIInChI=1S/C9H15N/c1-3-10(2)9-7-5-4-6-8-9/h4-7,9H,3,8H2,1-2H3
InChIKeyHDNVNXQGJASKEC-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.82
Rot. Bonds2

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

N-ethyl-N-methylcyclohexa-2,4-dien-1-amine (PubChem CID 89354848) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-ethyl-N-methylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN-ethyl-N-methylcyclohexa-2,4-dien-1-amine
PubChem CID89354848
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-ethyl-N-methylcyclohexa-2,4-dien-1-amine
SMILESCCN(C)C1C=CC=CC1
InChIInChI=1S/C9H15N/c1-3-10(2)9-7-5-4-6-8-9/h4-7,9H,3,8H2,1-2H3
InChIKeyHDNVNXQGJASKEC-UHFFFAOYSA-N
XLogP1.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methyl-4-vinyl-1,2,3,6-tetrahydro-pyridine
CID 10036134
4,6,7,9a-tetrahydro-1H-quinolizine
CID 584299
1,2-Dimethyl-1,2,3,6-tetrahydropyridine
CID 565854
1-Propyl-1,2,3,6-tetrahydropyridine
CID 357826
(r,s)-1,6-Dimethyl-1,2,3,6-tetrahydro-pyridine
CID 641109
Pyridine, 1,2,5,6-tetrahydro-1,2-dimethyl-
CID 565859
1-Methyl-2-vinylpyridine
CID 19781255
7-Methyl-7-azabicyclo[4.1.0]hepta-2,4-diene
CID 57558296
1,3,6-trimethyl-3,6-dihydro-2H-pyridine
CID 57699449
1-Methyl-6-methylidene-2,3-dihydropyridine
CID 58329250
N-methyl-2,6-lutidine
CID 68311864
N,N-dimethyl-4-methylidenecyclohexa-2,5-dien-1-amine
CID 89204023

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methylcyclohexa-2,4-dien-1-amine?
The IUPAC name of N-ethyl-N-methylcyclohexa-2,4-dien-1-amine (CID 89354848) is N-ethyl-N-methylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N-ethyl-N-methylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for N-ethyl-N-methylcyclohexa-2,4-dien-1-amine is CCN(C)C1C=CC=CC1.
What is the InChIKey of N-ethyl-N-methylcyclohexa-2,4-dien-1-amine?
The InChIKey is HDNVNXQGJASKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-3-10(2)9-7-5-4-6-8-9/h4-7,9H,3,8H2,1-2H3.
What are the key properties of N-ethyl-N-methylcyclohexa-2,4-dien-1-amine?
N-ethyl-N-methylcyclohexa-2,4-dien-1-amine has a molecular weight of 137.23 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 89354848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).