(2S,5S)-6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-ol

C15H18N2O — CID 639317

IUPAC(2S,5S)-6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-ol
SMILESCN1CCc2c3n(c4ccccc24)[C@@H](O)CC[C@@H]31
InChIInChI=1S/C15H18N2O/c1-16-9-8-11-10-4-2-3-5-12(10)17-14(18)7-6-13(16)15(11)17/h2-5,13-14,18H,6-9H2,1H3/t13-,14-/m0/s1
InChIKeyKCLINVYVZHZNQZ-KBPBESRZSA-N
MW242.32 g/mol
LogP2.45
Rot. Bonds

About (2S,5S)-6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-ol

(2S,5S)-6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-ol (PubChem CID 639317) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is (2S,5S)-6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-ol.

Molecular Properties

Compound Name(2S,5S)-6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-ol
PubChem CID639317
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name(2S,5S)-6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-ol
SMILESCN1CCc2c3n(c4ccccc24)[C@@H](O)CC[C@@H]31
InChIInChI=1S/C15H18N2O/c1-16-9-8-11-10-4-2-3-5-12(10)17-14(18)7-6-13(16)15(11)17/h2-5,13-14,18H,6-9H2,1H3/t13-,14-/m0/s1
InChIKeyKCLINVYVZHZNQZ-KBPBESRZSA-N
XLogP2.45
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4S,6R,8S)-5-ethylidene-9-methyl-3-oxa-1,9-diazapentacyclo[10.6.1.12,6.08,19.013,18]icosa-12(19),13,15,17-tetraen-4-ol
CID 162972164
(15S,17S)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol
CID 91382521
(15S,17R)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol
CID 91164435
(15R,19S)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol
CID 170836008
14-hydroxy-6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one
CID 611682
13-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol
CID 162876612
(12S,14S,16R,18R)-11,18-dimethyl-17-oxa-1,11-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2,4,6,8(21),19-pentaen-16-ol
CID 162951050
15-(2-hydroxyethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol
CID 73006730
(15R,17S,19S)-15-(2-hydroxyethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol
CID 11045206
12-ethyl-2-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine
CID 171986129
4-ethyl-8-methyl-4,8,10-triazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraene
CID 54197338
16-methyl-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-5-one
CID 72724645

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-ol?
The IUPAC name of (2S,5S)-6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-ol (CID 639317) is (2S,5S)-6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-ol.
What is the SMILES notation for (2S,5S)-6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-ol?
The canonical SMILES for (2S,5S)-6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-ol is CN1CCc2c3n(c4ccccc24)[C@@H](O)CC[C@@H]31.
What is the InChIKey of (2S,5S)-6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-ol?
The InChIKey is KCLINVYVZHZNQZ-KBPBESRZSA-N. The full InChI is InChI=1S/C15H18N2O/c1-16-9-8-11-10-4-2-3-5-12(10)17-14(18)7-6-13(16)15(11)17/h2-5,13-14,18H,6-9H2,1H3/t13-,14-/m0/s1.
What are the key properties of (2S,5S)-6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-ol?
(2S,5S)-6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-ol has a molecular weight of 242.32 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-ol is sourced from PubChem (CID 639317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).