(E)-N-methoxy-3-methyl-6,8,9,10-tetrahydro-5H-cycloocta[b]pyridin-7-imine

C13H18N2O — CID 90345822

IUPAC(E)-N-methoxy-3-methyl-6,8,9,10-tetrahydro-5H-cycloocta[b]pyridin-7-imine
SMILESCO/N=C1\CCCc2ncc(C)cc2CC1
InChIInChI=1S/C13H18N2O/c1-10-8-11-6-7-12(15-16-2)4-3-5-13(11)14-9-10/h8-9H,3-7H2,1-2H3/b15-12+
InChIKeyDLOANFQUESTDPF-NTCAYCPXSA-N
MW218.30 g/mol
LogP2.66
Rot. Bonds1

About (E)-N-methoxy-3-methyl-6,8,9,10-tetrahydro-5H-cycloocta[b]pyridin-7-imine

(E)-N-methoxy-3-methyl-6,8,9,10-tetrahydro-5H-cycloocta[b]pyridin-7-imine (PubChem CID 90345822) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (E)-N-methoxy-3-methyl-6,8,9,10-tetrahydro-5H-cycloocta[b]pyridin-7-imine.

Molecular Properties

Compound Name(E)-N-methoxy-3-methyl-6,8,9,10-tetrahydro-5H-cycloocta[b]pyridin-7-imine
PubChem CID90345822
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(E)-N-methoxy-3-methyl-6,8,9,10-tetrahydro-5H-cycloocta[b]pyridin-7-imine
SMILESCO/N=C1\CCCc2ncc(C)cc2CC1
InChIInChI=1S/C13H18N2O/c1-10-8-11-6-7-12(15-16-2)4-3-5-13(11)14-9-10/h8-9H,3-7H2,1-2H3/b15-12+
InChIKeyDLOANFQUESTDPF-NTCAYCPXSA-N
XLogP2.66
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;3-methyl-5,6,7,8-tetrahydroquinoline
CID 143839109
3-methyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-7-ol
CID 90345823
1-N,5-N-dimethoxycyclooctane-1,5-diimine
CID 10750478
6,12,13,14,15-pentamethyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
CID 20685236
CID 158703686
CID 158703686
molecular iodine;6,12,13,14,15-pentamethyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
CID 161224076
3,7-dimethyl-6,8-dihydro-5H-1,7-naphthyridine
CID 59437026
5-methoxyimino-3-methyl-7,8-dihydro-6H-naphthalen-2-ol
CID 136592041
13-chloro-6-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;ethane
CID 142002514
6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine
CID 10630532
6-cyclopentyl-3-methyl-7,8-dihydro-5H-1,6-naphthyridine
CID 89495036
6,14-dimethyl-2-(2-methylphenyl)-2,4,16-triazatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene
CID 59573666

Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-3-methyl-6,8,9,10-tetrahydro-5H-cycloocta[b]pyridin-7-imine?
The IUPAC name of (E)-N-methoxy-3-methyl-6,8,9,10-tetrahydro-5H-cycloocta[b]pyridin-7-imine (CID 90345822) is (E)-N-methoxy-3-methyl-6,8,9,10-tetrahydro-5H-cycloocta[b]pyridin-7-imine.
What is the SMILES notation for (E)-N-methoxy-3-methyl-6,8,9,10-tetrahydro-5H-cycloocta[b]pyridin-7-imine?
The canonical SMILES for (E)-N-methoxy-3-methyl-6,8,9,10-tetrahydro-5H-cycloocta[b]pyridin-7-imine is CO/N=C1\CCCc2ncc(C)cc2CC1.
What is the InChIKey of (E)-N-methoxy-3-methyl-6,8,9,10-tetrahydro-5H-cycloocta[b]pyridin-7-imine?
The InChIKey is DLOANFQUESTDPF-NTCAYCPXSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10-8-11-6-7-12(15-16-2)4-3-5-13(11)14-9-10/h8-9H,3-7H2,1-2H3/b15-12+.
What are the key properties of (E)-N-methoxy-3-methyl-6,8,9,10-tetrahydro-5H-cycloocta[b]pyridin-7-imine?
(E)-N-methoxy-3-methyl-6,8,9,10-tetrahydro-5H-cycloocta[b]pyridin-7-imine has a molecular weight of 218.30 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-3-methyl-6,8,9,10-tetrahydro-5H-cycloocta[b]pyridin-7-imine is sourced from PubChem (CID 90345822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).