(Z)-4,13-dimethyl-N-(methylideneamino)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-imine

C13H20N6 — CID 155731904

IUPAC(Z)-4,13-dimethyl-N-(methylideneamino)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-imine
SMILESC=N/N=C1/c2c3c(nn2CCCN1C)CCN(C)C3
InChIInChI=1S/C13H20N6/c1-14-15-13-12-10-9-17(2)8-5-11(10)16-19(12)7-4-6-18(13)3/h1,4-9H2,2-3H3/b15-13-
InChIKeyOPUSNCCFUIEDFM-SQFISAMPSA-N
MW260.34 g/mol
LogP0.57
Rot. Bonds1

About (Z)-4,13-dimethyl-N-(methylideneamino)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-imine

(Z)-4,13-dimethyl-N-(methylideneamino)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-imine (PubChem CID 155731904) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is (Z)-4,13-dimethyl-N-(methylideneamino)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-imine.

Molecular Properties

Compound Name(Z)-4,13-dimethyl-N-(methylideneamino)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-imine
PubChem CID155731904
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name(Z)-4,13-dimethyl-N-(methylideneamino)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-imine
SMILESC=N/N=C1/c2c3c(nn2CCCN1C)CCN(C)C3
InChIInChI=1S/C13H20N6/c1-14-15-13-12-10-9-17(2)8-5-11(10)16-19(12)7-4-6-18(13)3/h1,4-9H2,2-3H3/b15-13-
InChIKeyOPUSNCCFUIEDFM-SQFISAMPSA-N
XLogP0.57
TPSA49.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

11,14,14-Trifluoro-4-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene
CID 155352848
14,14-Difluoro-4-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene
CID 155352855
(11R)-11,14,14-trifluoro-4-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene
CID 155359372
4-fluoro-2,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
CID 171532074
1-[(5-Ethyl-1,4-dimethylpyrazol-3-yl)methyl]-4-(2-fluoroethyl)piperazine
CID 142466752
N-[(1-ethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-N,N-dimethylamine
CID 53019667
1,3,5-trimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 89584428
1,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 89867798
2,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 89867800
2,3,5-trimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 89870526
5-tert-butyl-1,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 90337642
5-tert-butyl-2,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 90337654

Frequently Asked Questions

What is the IUPAC name of (Z)-4,13-dimethyl-N-(methylideneamino)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-imine?
The IUPAC name of (Z)-4,13-dimethyl-N-(methylideneamino)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-imine (CID 155731904) is (Z)-4,13-dimethyl-N-(methylideneamino)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-imine.
What is the SMILES notation for (Z)-4,13-dimethyl-N-(methylideneamino)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-imine?
The canonical SMILES for (Z)-4,13-dimethyl-N-(methylideneamino)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-imine is C=N/N=C1/c2c3c(nn2CCCN1C)CCN(C)C3.
What is the InChIKey of (Z)-4,13-dimethyl-N-(methylideneamino)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-imine?
The InChIKey is OPUSNCCFUIEDFM-SQFISAMPSA-N. The full InChI is InChI=1S/C13H20N6/c1-14-15-13-12-10-9-17(2)8-5-11(10)16-19(12)7-4-6-18(13)3/h1,4-9H2,2-3H3/b15-13-.
What are the key properties of (Z)-4,13-dimethyl-N-(methylideneamino)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-imine?
(Z)-4,13-dimethyl-N-(methylideneamino)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-imine has a molecular weight of 260.34 g/mol, XLogP of 0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,13-dimethyl-N-(methylideneamino)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-imine is sourced from PubChem (CID 155731904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).