N,N-dimethyl-2-[[8-(oxan-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methoxy]ethanamine

C17H30N4O2 — CID 97405872

IUPACN,N-dimethyl-2-[[8-(oxan-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methoxy]ethanamine
SMILESCN(C)CCOCc1ncn2c1CN(C1CCOCC1)CCC2
InChIInChI=1S/C17H30N4O2/c1-19(2)8-11-23-13-16-17-12-20(15-4-9-22-10-5-15)6-3-7-21(17)14-18-16/h14-15H,3-13H2,1-2H3
InChIKeyCITZPXZJXPKLGJ-UHFFFAOYSA-N
MW322.45 g/mol
LogP1.35
Rot. Bonds6

About N,N-dimethyl-2-[[8-(oxan-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methoxy]ethanamine

N,N-dimethyl-2-[[8-(oxan-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methoxy]ethanamine (PubChem CID 97405872) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is N,N-dimethyl-2-[[8-(oxan-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[[8-(oxan-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methoxy]ethanamine
PubChem CID97405872
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC NameN,N-dimethyl-2-[[8-(oxan-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methoxy]ethanamine
SMILESCN(C)CCOCc1ncn2c1CN(C1CCOCC1)CCC2
InChIInChI=1S/C17H30N4O2/c1-19(2)8-11-23-13-16-17-12-20(15-4-9-22-10-5-15)6-3-7-21(17)14-18-16/h14-15H,3-13H2,1-2H3
InChIKeyCITZPXZJXPKLGJ-UHFFFAOYSA-N
XLogP1.35
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[8-(oxan-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[[8-(oxan-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methoxy]ethanamine (CID 97405872) is N,N-dimethyl-2-[[8-(oxan-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[[8-(oxan-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[[8-(oxan-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methoxy]ethanamine is CN(C)CCOCc1ncn2c1CN(C1CCOCC1)CCC2.
What is the InChIKey of N,N-dimethyl-2-[[8-(oxan-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methoxy]ethanamine?
The InChIKey is CITZPXZJXPKLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-19(2)8-11-23-13-16-17-12-20(15-4-9-22-10-5-15)6-3-7-21(17)14-18-16/h14-15H,3-13H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[[8-(oxan-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methoxy]ethanamine?
N,N-dimethyl-2-[[8-(oxan-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methoxy]ethanamine has a molecular weight of 322.45 g/mol, XLogP of 1.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[8-(oxan-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methoxy]ethanamine is sourced from PubChem (CID 97405872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).