(1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-9-yl)methanol

C17H17NO — CID 70383885

IUPAC(1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-9-yl)methanol
SMILESCC12NC(CO)(Cc3ccccc31)c1ccccc12
InChIInChI=1S/C17H17NO/c1-16-13-7-3-2-6-12(13)10-17(11-19,18-16)15-9-5-4-8-14(15)16/h2-9,18-19H,10-11H2,1H3
InChIKeyTVKLAXHXBCFAOG-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.30
Rot. Bonds1

About (1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-9-yl)methanol

(1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-9-yl)methanol (PubChem CID 70383885) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is (1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-9-yl)methanol.

Molecular Properties

Compound Name(1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-9-yl)methanol
PubChem CID70383885
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name(1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-9-yl)methanol
SMILESCC12NC(CO)(Cc3ccccc31)c1ccccc12
InChIInChI=1S/C17H17NO/c1-16-13-7-3-2-6-12(13)10-17(11-19,18-16)15-9-5-4-8-14(15)16/h2-9,18-19H,10-11H2,1H3
InChIKeyTVKLAXHXBCFAOG-UHFFFAOYSA-N
XLogP2.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-9-yl)methanol?
The IUPAC name of (1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-9-yl)methanol (CID 70383885) is (1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-9-yl)methanol.
What is the SMILES notation for (1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-9-yl)methanol?
The canonical SMILES for (1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-9-yl)methanol is CC12NC(CO)(Cc3ccccc31)c1ccccc12.
What is the InChIKey of (1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-9-yl)methanol?
The InChIKey is TVKLAXHXBCFAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-16-13-7-3-2-6-12(13)10-17(11-19,18-16)15-9-5-4-8-14(15)16/h2-9,18-19H,10-11H2,1H3.
What are the key properties of (1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-9-yl)methanol?
(1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-9-yl)methanol has a molecular weight of 251.33 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-9-yl)methanol is sourced from PubChem (CID 70383885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).