(4,10-dimethyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-5-yl)methyl-diethylazanium

C17H26N3+ — CID 7315801

IUPAC(4,10-dimethyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-5-yl)methyl-diethylazanium
SMILESCC[NH+](CC)Cc1c(C)cc2n1CCn1c(C)ccc1-2
InChIInChI=1S/C17H25N3/c1-5-18(6-2)12-17-13(3)11-16-15-8-7-14(4)19(15)9-10-20(16)17/h7-8,11H,5-6,9-10,12H2,1-4H3/p+1
InChIKeyDJRLQKANSFRKAX-UHFFFAOYSA-O
MW272.42 g/mol
LogP2.01
Rot. Bonds4

About (4,10-dimethyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-5-yl)methyl-diethylazanium

(4,10-dimethyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-5-yl)methyl-diethylazanium (PubChem CID 7315801) has the molecular formula C17H26N3+ and a molecular weight of 272.42 g/mol. Its IUPAC name is (4,10-dimethyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-5-yl)methyl-diethylazanium.

Molecular Properties

Compound Name(4,10-dimethyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-5-yl)methyl-diethylazanium
PubChem CID7315801
Molecular FormulaC17H26N3+
Molecular Weight272.42 g/mol
Exact Mass272.21
IUPAC Name(4,10-dimethyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-5-yl)methyl-diethylazanium
SMILESCC[NH+](CC)Cc1c(C)cc2n1CCn1c(C)ccc1-2
InChIInChI=1S/C17H25N3/c1-5-18(6-2)12-17-13(3)11-16-15-8-7-14(4)19(15)9-10-20(16)17/h7-8,11H,5-6,9-10,12H2,1-4H3/p+1
InChIKeyDJRLQKANSFRKAX-UHFFFAOYSA-O
XLogP2.01
TPSA14.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_C(8)', 'substructure': 'N/A'}

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Related Compounds

4,10-dimethyl-5-(piperidin-1-ylmethyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene
CID 921145
4-methyl-5,10-bis(piperidin-1-ylmethyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene
CID 15828883
triethylazanium;1,2,5-trimethylpyrrole
CID 90891861
10-methyl-4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene
CID 772855
4-(2,4-dichlorophenyl)-10-methyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene
CID 20967071
1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 60628219
1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(ethylamino)propan-1-one
CID 55121527
1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentane-1,4-dione
CID 65417599
1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methoxyethanone
CID 60724893
2-[(1S)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,7-dimethylchromen-4-one
CID 51500816
(1S)-1-ethyl-6-methyl-N-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 92703590
2-(N-ethyl-2,4-dimethylanilino)-1-(4-methylpiperidin-1-yl)ethanone
CID 60524839

Frequently Asked Questions

What is the IUPAC name of (4,10-dimethyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-5-yl)methyl-diethylazanium?
The IUPAC name of (4,10-dimethyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-5-yl)methyl-diethylazanium (CID 7315801) is (4,10-dimethyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-5-yl)methyl-diethylazanium.
What is the SMILES notation for (4,10-dimethyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-5-yl)methyl-diethylazanium?
The canonical SMILES for (4,10-dimethyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-5-yl)methyl-diethylazanium is CC[NH+](CC)Cc1c(C)cc2n1CCn1c(C)ccc1-2.
What is the InChIKey of (4,10-dimethyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-5-yl)methyl-diethylazanium?
The InChIKey is DJRLQKANSFRKAX-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H25N3/c1-5-18(6-2)12-17-13(3)11-16-15-8-7-14(4)19(15)9-10-20(16)17/h7-8,11H,5-6,9-10,12H2,1-4H3/p+1.
What are the key properties of (4,10-dimethyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-5-yl)methyl-diethylazanium?
(4,10-dimethyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-5-yl)methyl-diethylazanium has a molecular weight of 272.42 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,10-dimethyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-5-yl)methyl-diethylazanium is sourced from PubChem (CID 7315801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).