1-[(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methyl]cyclopropan-1-ol

C18H22N2O — CID 117453952

IUPAC1-[(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methyl]cyclopropan-1-ol
SMILESCn1c2c(c3cc(CC4(O)CC4)ccc31)C1CCN2CC1
InChIInChI=1S/C18H22N2O/c1-19-15-3-2-12(11-18(21)6-7-18)10-14(15)16-13-4-8-20(9-5-13)17(16)19/h2-3,10,13,21H,4-9,11H2,1H3
InChIKeyMPJDAHIHPWHINB-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.94
Rot. Bonds2

About 1-[(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methyl]cyclopropan-1-ol

1-[(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methyl]cyclopropan-1-ol (PubChem CID 117453952) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methyl]cyclopropan-1-ol
PubChem CID117453952
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-[(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methyl]cyclopropan-1-ol
SMILESCn1c2c(c3cc(CC4(O)CC4)ccc31)C1CCN2CC1
InChIInChI=1S/C18H22N2O/c1-19-15-3-2-12(11-18(21)6-7-18)10-14(15)16-13-4-8-20(9-5-13)17(16)19/h2-3,10,13,21H,4-9,11H2,1H3
InChIKeyMPJDAHIHPWHINB-UHFFFAOYSA-N
XLogP2.94
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methyl]cyclopropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methyl]cyclopropan-1-ol (CID 117453952) is 1-[(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methyl]cyclopropan-1-ol is Cn1c2c(c3cc(CC4(O)CC4)ccc31)C1CCN2CC1.
What is the InChIKey of 1-[(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methyl]cyclopropan-1-ol?
The InChIKey is MPJDAHIHPWHINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-19-15-3-2-12(11-18(21)6-7-18)10-14(15)16-13-4-8-20(9-5-13)17(16)19/h2-3,10,13,21H,4-9,11H2,1H3.
What are the key properties of 1-[(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methyl]cyclopropan-1-ol?
1-[(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methyl]cyclopropan-1-ol has a molecular weight of 282.39 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methyl]cyclopropan-1-ol is sourced from PubChem (CID 117453952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).