2-[cyclohexa-1,3-dien-1-ylmethyl(methyl)amino]-N-methylacetamide

C11H18N2O — CID 142143283

IUPAC2-[cyclohexa-1,3-dien-1-ylmethyl(methyl)amino]-N-methylacetamide
SMILESCNC(=O)CN(C)CC1=CC=CCC1
InChIInChI=1S/C11H18N2O/c1-12-11(14)9-13(2)8-10-6-4-3-5-7-10/h3-4,6H,5,7-9H2,1-2H3,(H,12,14)
InChIKeyLNXASOJDCAAEGK-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.94
Rot. Bonds4

About 2-[cyclohexa-1,3-dien-1-ylmethyl(methyl)amino]-N-methylacetamide

2-[cyclohexa-1,3-dien-1-ylmethyl(methyl)amino]-N-methylacetamide (PubChem CID 142143283) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-[cyclohexa-1,3-dien-1-ylmethyl(methyl)amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[cyclohexa-1,3-dien-1-ylmethyl(methyl)amino]-N-methylacetamide
PubChem CID142143283
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-[cyclohexa-1,3-dien-1-ylmethyl(methyl)amino]-N-methylacetamide
SMILESCNC(=O)CN(C)CC1=CC=CCC1
InChIInChI=1S/C11H18N2O/c1-12-11(14)9-13(2)8-10-6-4-3-5-7-10/h3-4,6H,5,7-9H2,1-2H3,(H,12,14)
InChIKeyLNXASOJDCAAEGK-UHFFFAOYSA-N
XLogP0.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1S)-cyclohex-2-en-1-yl]amino]-N,N,2-trimethylpropanamide
CID 95627711
2-(methylamino)-N-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide
CID 70812911
N-ethyl-2-[(2-fluorocyclohexa-2,4-dien-1-yl)methyl-methylamino]acetamide
CID 146259448
5-fluoro-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide
CID 175565379
2-[cyclohepta-3,5-dien-1-yl(methyl)amino]-N-methylacetamide
CID 177930865
N-[2-[3-(6-fluoro-2-propylcyclohexa-1,3-dien-1-yl)propylamino]-2-oxoethyl]propanamide
CID 145498993
N-[2-(cyclohex-1-en-1-yl)ethyl]-N'-(prop-2-en-1-yl)ethanediamide
CID 2915018
2-(cyclohexa-2,4-dien-1-ylamino)-N-propan-2-ylacetamide
CID 17803037
2-(cyclohexa-2,4-dien-1-ylamino)-N-ethylacetamide
CID 17803038
2-(cyclohexa-2,4-dien-1-ylamino)-N-methylacetamide
CID 17803039
7-Ethyl-6-methyl-1,2,3,4-tetrahydro-1,7-naphthyridin-8-one
CID 53910867
2-(Phenylmethylamino)acetamide;yttrium
CID 58782657

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexa-1,3-dien-1-ylmethyl(methyl)amino]-N-methylacetamide?
The IUPAC name of 2-[cyclohexa-1,3-dien-1-ylmethyl(methyl)amino]-N-methylacetamide (CID 142143283) is 2-[cyclohexa-1,3-dien-1-ylmethyl(methyl)amino]-N-methylacetamide.
What is the SMILES notation for 2-[cyclohexa-1,3-dien-1-ylmethyl(methyl)amino]-N-methylacetamide?
The canonical SMILES for 2-[cyclohexa-1,3-dien-1-ylmethyl(methyl)amino]-N-methylacetamide is CNC(=O)CN(C)CC1=CC=CCC1.
What is the InChIKey of 2-[cyclohexa-1,3-dien-1-ylmethyl(methyl)amino]-N-methylacetamide?
The InChIKey is LNXASOJDCAAEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-12-11(14)9-13(2)8-10-6-4-3-5-7-10/h3-4,6H,5,7-9H2,1-2H3,(H,12,14).
What are the key properties of 2-[cyclohexa-1,3-dien-1-ylmethyl(methyl)amino]-N-methylacetamide?
2-[cyclohexa-1,3-dien-1-ylmethyl(methyl)amino]-N-methylacetamide has a molecular weight of 194.28 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexa-1,3-dien-1-ylmethyl(methyl)amino]-N-methylacetamide is sourced from PubChem (CID 142143283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).