4-[2-methyl-1-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)propan-2-yl]morpholine

C15H26N4O — CID 56914194

IUPAC4-[2-methyl-1-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)propan-2-yl]morpholine
SMILESCC(C)(CN1CCCn2cncc2C1)N1CCOCC1
InChIInChI=1S/C15H26N4O/c1-15(2,19-6-8-20-9-7-19)12-17-4-3-5-18-13-16-10-14(18)11-17/h10,13H,3-9,11-12H2,1-2H3
InChIKeyBADCCSYKOVNNHQ-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.20
Rot. Bonds3

About 4-[2-methyl-1-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)propan-2-yl]morpholine

4-[2-methyl-1-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)propan-2-yl]morpholine (PubChem CID 56914194) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-[2-methyl-1-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)propan-2-yl]morpholine.

Molecular Properties

Compound Name4-[2-methyl-1-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)propan-2-yl]morpholine
PubChem CID56914194
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name4-[2-methyl-1-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)propan-2-yl]morpholine
SMILESCC(C)(CN1CCCn2cncc2C1)N1CCOCC1
InChIInChI=1S/C15H26N4O/c1-15(2,19-6-8-20-9-7-19)12-17-4-3-5-18-13-16-10-14(18)11-17/h10,13H,3-9,11-12H2,1-2H3
InChIKeyBADCCSYKOVNNHQ-UHFFFAOYSA-N
XLogP1.20
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine
CID 97390179
Morpholin-4-yl-[3-(piperidin-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone
CID 97467044
3-(morpholin-4-ylmethyl)-N-propan-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide
CID 97467065
N-cyclopropyl-3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide
CID 97467066
N-[[7-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]-N-methylpropan-2-amine
CID 97471136
1-(2-Methoxyethyl)-8-[(3-methylimidazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane
CID 97493559
4-[[7-(Oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]morpholine
CID 118739063
N-ethyl-N-[[7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]ethanamine
CID 118739065
N,N-dimethyl-1-[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanamine
CID 118739392
7-(Oxolan-3-yl)-3-(piperidin-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine
CID 118745773
N-ethyl-N-[[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]ethanamine
CID 118746023
4-[(3-Propan-2-ylimidazol-4-yl)methyl]-2-(trifluoromethyl)morpholine
CID 56864764

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-1-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)propan-2-yl]morpholine?
The IUPAC name of 4-[2-methyl-1-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)propan-2-yl]morpholine (CID 56914194) is 4-[2-methyl-1-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)propan-2-yl]morpholine.
What is the SMILES notation for 4-[2-methyl-1-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)propan-2-yl]morpholine?
The canonical SMILES for 4-[2-methyl-1-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)propan-2-yl]morpholine is CC(C)(CN1CCCn2cncc2C1)N1CCOCC1.
What is the InChIKey of 4-[2-methyl-1-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)propan-2-yl]morpholine?
The InChIKey is BADCCSYKOVNNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-15(2,19-6-8-20-9-7-19)12-17-4-3-5-18-13-16-10-14(18)11-17/h10,13H,3-9,11-12H2,1-2H3.
What are the key properties of 4-[2-methyl-1-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)propan-2-yl]morpholine?
4-[2-methyl-1-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)propan-2-yl]morpholine has a molecular weight of 278.40 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-1-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)propan-2-yl]morpholine is sourced from PubChem (CID 56914194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).