N-ethyl-1-(3-methoxycyclohexa-1,3-dien-1-yl)-N-methylpropan-1-amine

C13H23NO — CID 145352646

IUPACN-ethyl-1-(3-methoxycyclohexa-1,3-dien-1-yl)-N-methylpropan-1-amine
SMILESCCC(C1=CC(OC)=CCC1)N(C)CC
InChIInChI=1S/C13H23NO/c1-5-13(14(3)6-2)11-8-7-9-12(10-11)15-4/h9-10,13H,5-8H2,1-4H3
InChIKeyKUHUUJHYNKNZHP-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.97
Rot. Bonds5

About N-ethyl-1-(3-methoxycyclohexa-1,3-dien-1-yl)-N-methylpropan-1-amine

N-ethyl-1-(3-methoxycyclohexa-1,3-dien-1-yl)-N-methylpropan-1-amine (PubChem CID 145352646) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-ethyl-1-(3-methoxycyclohexa-1,3-dien-1-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-methoxycyclohexa-1,3-dien-1-yl)-N-methylpropan-1-amine
PubChem CID145352646
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-ethyl-1-(3-methoxycyclohexa-1,3-dien-1-yl)-N-methylpropan-1-amine
SMILESCCC(C1=CC(OC)=CCC1)N(C)CC
InChIInChI=1S/C13H23NO/c1-5-13(14(3)6-2)11-8-7-9-12(10-11)15-4/h9-10,13H,5-8H2,1-4H3
InChIKeyKUHUUJHYNKNZHP-UHFFFAOYSA-N
XLogP2.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1-[3-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]propan-1-amine;ethane
CID 145352654
N,N-dimethyl-1-[3-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]propan-1-amine
CID 145352655
N-butyl-2-(2-methoxyethylidene)-N-methylcyclohexan-1-amine
CID 70432496
7-methoxy-4-methyl-2,3,4a,5-tetrahydro-1H-benzo[f]quinoline
CID 88337608
(3E,5S)-2-methoxy-N,N,4,8-tetramethyl-7-methylidenenona-1,3,8-trien-5-amine
CID 89283347
N-ethyl-N-[iodo-(2-methoxycyclohexa-1,3-dien-1-yl)methyl]ethanamine
CID 89688692
1-[1-(6-Methoxycyclohexa-1,5-dien-1-yl)ethyl]piperidine
CID 89688746
4-(2-Ethyl-4-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-methanidylpiperidin-5-ide
CID 91077745
2-(2-Methoxyprop-2-enylidene)-1-methyl-3-methylidenepiperidine
CID 123572370
2-methoxy-N,N,4,8-tetramethyl-7-methylidenenona-1,3,8-trien-5-amine
CID 123630450
2-(4-ethoxypenta-2,4-dien-2-yl)-1,5-dimethyl-4-prop-1-enyl-3,6-dihydro-2H-pyridine
CID 123719607
4-methoxy-N-methyl-N-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 123784215

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methoxycyclohexa-1,3-dien-1-yl)-N-methylpropan-1-amine?
The IUPAC name of N-ethyl-1-(3-methoxycyclohexa-1,3-dien-1-yl)-N-methylpropan-1-amine (CID 145352646) is N-ethyl-1-(3-methoxycyclohexa-1,3-dien-1-yl)-N-methylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-(3-methoxycyclohexa-1,3-dien-1-yl)-N-methylpropan-1-amine?
The canonical SMILES for N-ethyl-1-(3-methoxycyclohexa-1,3-dien-1-yl)-N-methylpropan-1-amine is CCC(C1=CC(OC)=CCC1)N(C)CC.
What is the InChIKey of N-ethyl-1-(3-methoxycyclohexa-1,3-dien-1-yl)-N-methylpropan-1-amine?
The InChIKey is KUHUUJHYNKNZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-13(14(3)6-2)11-8-7-9-12(10-11)15-4/h9-10,13H,5-8H2,1-4H3.
What are the key properties of N-ethyl-1-(3-methoxycyclohexa-1,3-dien-1-yl)-N-methylpropan-1-amine?
N-ethyl-1-(3-methoxycyclohexa-1,3-dien-1-yl)-N-methylpropan-1-amine has a molecular weight of 209.33 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methoxycyclohexa-1,3-dien-1-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 145352646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).