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

C16H26N4O — CID 118746954

IUPAC4-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine
SMILESc1cn2c(n1)CN(CC1CC1)CC(CN1CCOCC1)C2
InChIInChI=1S/C16H26N4O/c1-2-14(1)9-19-11-15(10-18-5-7-21-8-6-18)12-20-4-3-17-16(20)13-19/h3-4,14-15H,1-2,5-13H2
InChIKeyJWVOCZPTEUJHLM-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.06
Rot. Bonds4

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

4-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine (PubChem CID 118746954) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine
PubChem CID118746954
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name4-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine
SMILESc1cn2c(n1)CN(CC1CC1)CC(CN1CCOCC1)C2
InChIInChI=1S/C16H26N4O/c1-2-14(1)9-19-11-15(10-18-5-7-21-8-6-18)12-20-4-3-17-16(20)13-19/h3-4,14-15H,1-2,5-13H2
InChIKeyJWVOCZPTEUJHLM-UHFFFAOYSA-N
XLogP1.06
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine?
The IUPAC name of 4-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine (CID 118746954) is 4-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine.
What is the SMILES notation for 4-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine?
The canonical SMILES for 4-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine is c1cn2c(n1)CN(CC1CC1)CC(CN1CCOCC1)C2.
What is the InChIKey of 4-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine?
The InChIKey is JWVOCZPTEUJHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-2-14(1)9-19-11-15(10-18-5-7-21-8-6-18)12-20-4-3-17-16(20)13-19/h3-4,14-15H,1-2,5-13H2.
What are the key properties of 4-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine?
4-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine has a molecular weight of 290.41 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine is sourced from PubChem (CID 118746954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).