N-[(5,6-dimethyl-4H-azepin-7-yl)methyl]-N-methylacetamide

C12H18N2O — CID 163440421

IUPACN-[(5,6-dimethyl-4H-azepin-7-yl)methyl]-N-methylacetamide
SMILESCC(=O)N(C)CC1=NC=CCC(C)=C1C
InChIInChI=1S/C12H18N2O/c1-9-6-5-7-13-12(10(9)2)8-14(4)11(3)15/h5,7H,6,8H2,1-4H3
InChIKeyAYBQNYASAQIZRM-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.16
Rot. Bonds2

About N-[(5,6-dimethyl-4H-azepin-7-yl)methyl]-N-methylacetamide

N-[(5,6-dimethyl-4H-azepin-7-yl)methyl]-N-methylacetamide (PubChem CID 163440421) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-[(5,6-dimethyl-4H-azepin-7-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(5,6-dimethyl-4H-azepin-7-yl)methyl]-N-methylacetamide
PubChem CID163440421
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-[(5,6-dimethyl-4H-azepin-7-yl)methyl]-N-methylacetamide
SMILESCC(=O)N(C)CC1=NC=CCC(C)=C1C
InChIInChI=1S/C12H18N2O/c1-9-6-5-7-13-12(10(9)2)8-14(4)11(3)15/h5,7H,6,8H2,1-4H3
InChIKeyAYBQNYASAQIZRM-UHFFFAOYSA-N
XLogP2.16
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(3-ethenyliminopent-4-enyl)-N-methylacetamide
CID 142095802
1-[(2Z,4Z)-3-ethyl-2-methylhexa-2,4-dienyl]-3-methylpyrazin-2-one
CID 144352190
(3-methyl-4H-azepin-7-yl)-piperidin-1-ylmethanone
CID 155132154
1-[(5E)-2-ethyl-5-[1-(ethylideneamino)ethylidene]-4H-azepin-1-yl]ethanone
CID 156519555
1-[4-(N-ethenyl-C-prop-1-en-2-ylcarbonimidoyl)-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one
CID 169205107

Frequently Asked Questions

What is the IUPAC name of N-[(5,6-dimethyl-4H-azepin-7-yl)methyl]-N-methylacetamide?
The IUPAC name of N-[(5,6-dimethyl-4H-azepin-7-yl)methyl]-N-methylacetamide (CID 163440421) is N-[(5,6-dimethyl-4H-azepin-7-yl)methyl]-N-methylacetamide.
What is the SMILES notation for N-[(5,6-dimethyl-4H-azepin-7-yl)methyl]-N-methylacetamide?
The canonical SMILES for N-[(5,6-dimethyl-4H-azepin-7-yl)methyl]-N-methylacetamide is CC(=O)N(C)CC1=NC=CCC(C)=C1C.
What is the InChIKey of N-[(5,6-dimethyl-4H-azepin-7-yl)methyl]-N-methylacetamide?
The InChIKey is AYBQNYASAQIZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-6-5-7-13-12(10(9)2)8-14(4)11(3)15/h5,7H,6,8H2,1-4H3.
What are the key properties of N-[(5,6-dimethyl-4H-azepin-7-yl)methyl]-N-methylacetamide?
N-[(5,6-dimethyl-4H-azepin-7-yl)methyl]-N-methylacetamide has a molecular weight of 206.29 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,6-dimethyl-4H-azepin-7-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 163440421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).