(1R,2S,10S,12S)-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene

C15H19N — CID 23620851

IUPAC(1R,2S,10S,12S)-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene
SMILESCN1[C@H]2CC[C@@H]1[C@H]1Cc3ccccc3[C@H]1C2
InChIInChI=1S/C15H19N/c1-16-11-6-7-15(16)14-8-10-4-2-3-5-12(10)13(14)9-11/h2-5,11,13-15H,6-9H2,1H3/t11-,13+,14-,15+/m0/s1
InChIKeyDQOCUOSYTMEEEY-PMOUVXMZSA-N
MW213.32 g/mol
LogP2.81
Rot. Bonds

About (1R,2S,10S,12S)-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene

(1R,2S,10S,12S)-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene (PubChem CID 23620851) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is (1R,2S,10S,12S)-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene.

Molecular Properties

Compound Name(1R,2S,10S,12S)-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene
PubChem CID23620851
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name(1R,2S,10S,12S)-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene
SMILESCN1[C@H]2CC[C@@H]1[C@H]1Cc3ccccc3[C@H]1C2
InChIInChI=1S/C15H19N/c1-16-11-6-7-15(16)14-8-10-4-2-3-5-12(10)13(14)9-11/h2-5,11,13-15H,6-9H2,1H3/t11-,13+,14-,15+/m0/s1
InChIKeyDQOCUOSYTMEEEY-PMOUVXMZSA-N
XLogP2.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1R,2S,10S,12S)-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene with MolForge

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Related Compounds

(1R,2R)-7-methyl-2-pyridin-2-yl-7-azabicyclo[2.2.1]heptane
CID 10397607
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CID 11777982
(3R,5R)-8-methyl-3-(4-methylphenyl)-2-phenyl-8-azabicyclo[3.2.1]octane
CID 46878020
(2S,10S)-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene;hydrochloride
CID 138399915
(1S,2R,10R,11S)-pentacyclo[9.7.0.02,10.03,8.013,18]octadeca-3,5,7,13,15,17-hexaene
CID 102463756
1-[(1R,2S,3S,5S)-8-methyl-3-(4-methylnaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one
CID 10782036
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CID 58963061
3-propan-2-yl-2,3,4,4a,9,9a-hexahydro-1H-fluorene
CID 165374450
6-chloro-15-methyl-15-azatetracyclo[10.2.1.02,10.03,8]pentadeca-3(8),4,6-trien-9-one
CID 19377743
N-[[2-[(1R,2S,3S,5S)-3-(3,4-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]phenyl]methylidene]hydroxylamine
CID 140975788
2-(6-chloro-3-pyridinyl)-7-methyl-7-azabicyclo[2.2.1]heptane
CID 11601009
1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of (1R,2S,10S,12S)-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene?
The IUPAC name of (1R,2S,10S,12S)-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene (CID 23620851) is (1R,2S,10S,12S)-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene.
What is the SMILES notation for (1R,2S,10S,12S)-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene?
The canonical SMILES for (1R,2S,10S,12S)-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene is CN1[C@H]2CC[C@@H]1[C@H]1Cc3ccccc3[C@H]1C2.
What is the InChIKey of (1R,2S,10S,12S)-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene?
The InChIKey is DQOCUOSYTMEEEY-PMOUVXMZSA-N. The full InChI is InChI=1S/C15H19N/c1-16-11-6-7-15(16)14-8-10-4-2-3-5-12(10)13(14)9-11/h2-5,11,13-15H,6-9H2,1H3/t11-,13+,14-,15+/m0/s1.
What are the key properties of (1R,2S,10S,12S)-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene?
(1R,2S,10S,12S)-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene has a molecular weight of 213.32 g/mol, XLogP of 2.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,10S,12S)-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene is sourced from PubChem (CID 23620851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).