10-propan-2-yl-2,6-diazabicyclo[5.5.0]dodeca-1,7,9,11-tetraene

C13H18N2 — CID 15204755

IUPAC10-propan-2-yl-2,6-diazabicyclo[5.5.0]dodeca-1,7,9,11-tetraene
SMILESCC(C)C1=CC=C2NCCCN=C2C=C1
InChIInChI=1S/C13H18N2/c1-10(2)11-4-6-12-13(7-5-11)15-9-3-8-14-12/h4-7,10,14H,3,8-9H2,1-2H3
InChIKeyUULZMLMZZGEKCP-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.46
Rot. Bonds1

About 10-propan-2-yl-2,6-diazabicyclo[5.5.0]dodeca-1,7,9,11-tetraene

10-propan-2-yl-2,6-diazabicyclo[5.5.0]dodeca-1,7,9,11-tetraene (PubChem CID 15204755) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 10-propan-2-yl-2,6-diazabicyclo[5.5.0]dodeca-1,7,9,11-tetraene.

Molecular Properties

Compound Name10-propan-2-yl-2,6-diazabicyclo[5.5.0]dodeca-1,7,9,11-tetraene
PubChem CID15204755
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name10-propan-2-yl-2,6-diazabicyclo[5.5.0]dodeca-1,7,9,11-tetraene
SMILESCC(C)C1=CC=C2NCCCN=C2C=C1
InChIInChI=1S/C13H18N2/c1-10(2)11-4-6-12-13(7-5-11)15-9-3-8-14-12/h4-7,10,14H,3,8-9H2,1-2H3
InChIKeyUULZMLMZZGEKCP-UHFFFAOYSA-N
XLogP2.46
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'colchicine_A(3)', 'substructure': 'N/A'}

Analyze 10-propan-2-yl-2,6-diazabicyclo[5.5.0]dodeca-1,7,9,11-tetraene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-isopropyl-7-(isopropylimino)cyclohepta-1,3,5-trienamine
CID 777099
2,6,14,18-Tetrazatricyclo[17.5.0.07,13]tetracosa-1,6,8,10,12,19,21,23-octaene
CID 358339
N'-[7-(4-aminobutylimino)-4-propan-2-ylcyclohepta-1,3,5-trien-1-yl]butane-1,4-diamine
CID 101917798
N'-[7-(6-aminohexylimino)-4-propan-2-ylcyclohepta-1,3,5-trien-1-yl]hexane-1,6-diamine
CID 101917799
[6-(Ethylamino)-4-propylhepta-3,5-dien-2-ylidene]-methylazanium
CID 59120193
N,3-dimethyl-7-propan-2-ylimino-4-prop-1-en-2-ylcyclohepta-1,3,5-trien-1-amine
CID 123740090
N-[(5,7-dimethyl-1-azacyclohepta-1,3,4,6-tetraen-2-yl)methyl]ethanamine
CID 129045664
N-methyl-3-[(8-methyl-1,4a-dihydrocyclohepta[b]pyridin-4-ylidene)amino]propan-1-amine
CID 136955213
ethane;6-ethyl-3-[(3Z)-hexa-1,3,5-trien-2-yl]-1,2-dihydropyrazine
CID 144022010
(5Z)-N-[1-(azetidin-3-yl)ethenyl]-3-methylidenehepta-1,5-dien-4-imine
CID 144758059
1-[6-[(Z)-but-2-en-2-yl]imino-3-methylcyclohexa-2,4-dien-1-yl]-N-methylmethanamine;ethane
CID 145266167
1-(3-buta-1,3-dien-2-yl-4,5-dihydro-1H-azepin-2-yl)-N-methylprop-2-en-1-imine
CID 156744172

Frequently Asked Questions

What is the IUPAC name of 10-propan-2-yl-2,6-diazabicyclo[5.5.0]dodeca-1,7,9,11-tetraene?
The IUPAC name of 10-propan-2-yl-2,6-diazabicyclo[5.5.0]dodeca-1,7,9,11-tetraene (CID 15204755) is 10-propan-2-yl-2,6-diazabicyclo[5.5.0]dodeca-1,7,9,11-tetraene.
What is the SMILES notation for 10-propan-2-yl-2,6-diazabicyclo[5.5.0]dodeca-1,7,9,11-tetraene?
The canonical SMILES for 10-propan-2-yl-2,6-diazabicyclo[5.5.0]dodeca-1,7,9,11-tetraene is CC(C)C1=CC=C2NCCCN=C2C=C1.
What is the InChIKey of 10-propan-2-yl-2,6-diazabicyclo[5.5.0]dodeca-1,7,9,11-tetraene?
The InChIKey is UULZMLMZZGEKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-10(2)11-4-6-12-13(7-5-11)15-9-3-8-14-12/h4-7,10,14H,3,8-9H2,1-2H3.
What are the key properties of 10-propan-2-yl-2,6-diazabicyclo[5.5.0]dodeca-1,7,9,11-tetraene?
10-propan-2-yl-2,6-diazabicyclo[5.5.0]dodeca-1,7,9,11-tetraene has a molecular weight of 202.30 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-propan-2-yl-2,6-diazabicyclo[5.5.0]dodeca-1,7,9,11-tetraene is sourced from PubChem (CID 15204755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).