1-[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine

C13H24N4O — CID 97390179

IUPAC1-[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine
SMILESCOCCN1CCc2ncc(CN(C)C)n2CC1
InChIInChI=1S/C13H24N4O/c1-15(2)11-12-10-14-13-4-5-16(8-9-18-3)6-7-17(12)13/h10H,4-9,11H2,1-3H3
InChIKeyCCSDTYBEBDUSCI-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.45
Rot. Bonds5

About 1-[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine

1-[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine (PubChem CID 97390179) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine
PubChem CID97390179
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine
SMILESCOCCN1CCc2ncc(CN(C)C)n2CC1
InChIInChI=1S/C13H24N4O/c1-15(2)11-12-10-14-13-4-5-16(8-9-18-3)6-7-17(12)13/h10H,4-9,11H2,1-3H3
InChIKeyCCSDTYBEBDUSCI-UHFFFAOYSA-N
XLogP0.45
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine (CID 97390179) is 1-[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine is COCCN1CCc2ncc(CN(C)C)n2CC1.
What is the InChIKey of 1-[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine?
The InChIKey is CCSDTYBEBDUSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-15(2)11-12-10-14-13-4-5-16(8-9-18-3)6-7-17(12)13/h10H,4-9,11H2,1-3H3.
What are the key properties of 1-[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine?
1-[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine has a molecular weight of 252.36 g/mol, XLogP of 0.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 97390179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).