N,N,4-trimethylcyclohexa-1,3-dien-1-amine

C9H15N — CID 19835393

IUPACN,N,4-trimethylcyclohexa-1,3-dien-1-amine
SMILESCC1=CC=C(N(C)C)CC1
InChIInChI=1S/C9H15N/c1-8-4-6-9(7-5-8)10(2)3/h4,6H,5,7H2,1-3H3
InChIKeyRXFLESCYAYTYFR-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.17
Rot. Bonds1

About N,N,4-trimethylcyclohexa-1,3-dien-1-amine

N,N,4-trimethylcyclohexa-1,3-dien-1-amine (PubChem CID 19835393) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N,N,4-trimethylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound NameN,N,4-trimethylcyclohexa-1,3-dien-1-amine
PubChem CID19835393
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN,N,4-trimethylcyclohexa-1,3-dien-1-amine
SMILESCC1=CC=C(N(C)C)CC1
InChIInChI=1S/C9H15N/c1-8-4-6-9(7-5-8)10(2)3/h4,6H,5,7H2,1-3H3
InChIKeyRXFLESCYAYTYFR-UHFFFAOYSA-N
XLogP2.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-Dimethyl-1-cyclohexan-1-amine
CID 139609
5-Fluoro-1-(3-methylbut-2-en-2-yl)-2-methylidene-3-propylpyridine
CID 129083998
N,N-dimethyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 144521578
ethane;N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 144539787
3-(3-fluoropropyl)-1-methyl-6-propan-2-yl-2H-pyridine
CID 146538057
N-(dimethyloctadienyl)piperidine
CID 129763869
N,N-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 144244960
4-fluoro-N,N-dimethylcyclohexa-1,3-dien-1-amine
CID 144496766
N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 144539788
Cyclohexen-1-yl(trimethyl)azanium
CID 419639
1-Dimethylaminocyclohexa-1,3-diene
CID 5255616
1,2-Dimethyl-3,4-dihydrocyclopenta[c]pyridine
CID 13860311

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethylcyclohexa-1,3-dien-1-amine?
The IUPAC name of N,N,4-trimethylcyclohexa-1,3-dien-1-amine (CID 19835393) is N,N,4-trimethylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for N,N,4-trimethylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for N,N,4-trimethylcyclohexa-1,3-dien-1-amine is CC1=CC=C(N(C)C)CC1.
What is the InChIKey of N,N,4-trimethylcyclohexa-1,3-dien-1-amine?
The InChIKey is RXFLESCYAYTYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-8-4-6-9(7-5-8)10(2)3/h4,6H,5,7H2,1-3H3.
What are the key properties of N,N,4-trimethylcyclohexa-1,3-dien-1-amine?
N,N,4-trimethylcyclohexa-1,3-dien-1-amine has a molecular weight of 137.23 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 19835393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).