8-(cyclopropylmethyl)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine

C13H21N3O — CID 118745157

IUPAC8-(cyclopropylmethyl)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
SMILESCOCC1CN(CC2CC2)Cc2nccn2C1
InChIInChI=1S/C13H21N3O/c1-17-10-12-7-15(6-11-2-3-11)9-13-14-4-5-16(13)8-12/h4-5,11-12H,2-3,6-10H2,1H3
InChIKeyHPWHLITYYQDICC-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.37
Rot. Bonds4

About 8-(cyclopropylmethyl)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine

8-(cyclopropylmethyl)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine (PubChem CID 118745157) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 8-(cyclopropylmethyl)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine.

Molecular Properties

Compound Name8-(cyclopropylmethyl)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
PubChem CID118745157
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name8-(cyclopropylmethyl)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
SMILESCOCC1CN(CC2CC2)Cc2nccn2C1
InChIInChI=1S/C13H21N3O/c1-17-10-12-7-15(6-11-2-3-11)9-13-14-4-5-16(13)8-12/h4-5,11-12H,2-3,6-10H2,1H3
InChIKeyHPWHLITYYQDICC-UHFFFAOYSA-N
XLogP1.37
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropylmethyl)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine?
The IUPAC name of 8-(cyclopropylmethyl)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine (CID 118745157) is 8-(cyclopropylmethyl)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine.
What is the SMILES notation for 8-(cyclopropylmethyl)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine?
The canonical SMILES for 8-(cyclopropylmethyl)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine is COCC1CN(CC2CC2)Cc2nccn2C1.
What is the InChIKey of 8-(cyclopropylmethyl)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine?
The InChIKey is HPWHLITYYQDICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-17-10-12-7-15(6-11-2-3-11)9-13-14-4-5-16(13)8-12/h4-5,11-12H,2-3,6-10H2,1H3.
What are the key properties of 8-(cyclopropylmethyl)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine?
8-(cyclopropylmethyl)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine has a molecular weight of 235.33 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopropylmethyl)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine is sourced from PubChem (CID 118745157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).