3-(cyclohexylmethylimino)-2,4-diazabicyclo[5.5.0]dodeca-4,7,9,11-tetraen-5-amine

C17H24N4 — CID 142229283

IUPAC3-(cyclohexylmethylimino)-2,4-diazabicyclo[5.5.0]dodeca-4,7,9,11-tetraen-5-amine
SMILESNC1=N/C(=N\CC2CCCCC2)NC2C=CC=CC=C2C1
InChIInChI=1S/C17H24N4/c18-16-11-14-9-5-2-6-10-15(14)20-17(21-16)19-12-13-7-3-1-4-8-13/h2,5-6,9-10,13,15H,1,3-4,7-8,11-12H2,(H3,18,19,20,21)
InChIKeyHPLRNGIHUILTKX-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.69
Rot. Bonds2

About 3-(cyclohexylmethylimino)-2,4-diazabicyclo[5.5.0]dodeca-4,7,9,11-tetraen-5-amine

3-(cyclohexylmethylimino)-2,4-diazabicyclo[5.5.0]dodeca-4,7,9,11-tetraen-5-amine (PubChem CID 142229283) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 3-(cyclohexylmethylimino)-2,4-diazabicyclo[5.5.0]dodeca-4,7,9,11-tetraen-5-amine.

Molecular Properties

Compound Name3-(cyclohexylmethylimino)-2,4-diazabicyclo[5.5.0]dodeca-4,7,9,11-tetraen-5-amine
PubChem CID142229283
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name3-(cyclohexylmethylimino)-2,4-diazabicyclo[5.5.0]dodeca-4,7,9,11-tetraen-5-amine
SMILESNC1=N/C(=N\CC2CCCCC2)NC2C=CC=CC=C2C1
InChIInChI=1S/C17H24N4/c18-16-11-14-9-5-2-6-10-15(14)20-17(21-16)19-12-13-7-3-1-4-8-13/h2,5-6,9-10,13,15H,1,3-4,7-8,11-12H2,(H3,18,19,20,21)
InChIKeyHPLRNGIHUILTKX-UHFFFAOYSA-N
XLogP2.69
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N-(cyclohexylmethyl)-4-N-propan-2-yl-1,9a-dihydrocyclohepta[d]pyrimidine-2,4-diimine
CID 142228503
3-N-(cyclohexylmethyl)-5-N-methyl-2,4-diazabicyclo[5.5.0]dodeca-7,9,11-triene-3,5-diimine
CID 142228836
(4aE,7Z)-2-(cyclohexylmethylimino)-N,N-dimethyl-6,9,10,10a-tetrahydro-1H-cycloocta[d]pyrimidin-4-amine
CID 142230397
4-N,4-N-dimethyl-2-N-[(5S)-5-methylheptan-2-yl]-6H-cyclohepta[d]pyrimidine-2,4-diamine
CID 142230474
4-N,4-N-dimethyl-2-N-[(4R)-4-methylcycloheptyl]-9aH-cyclohepta[d]pyrimidine-2,4-diamine
CID 142230577
4-N,4-N-dimethyl-2-N-(4-methylcyclohexyl)-8H-cyclohepta[d]pyrimidine-2,4-diamine
CID 142230849
(5E)-2-N-(cyclohexylmethyl)-5-[(3Z)-hexa-3,5-dienylidene]-6-N,6-N-dimethyl-4H-pyrimidine-2,6-diamine
CID 142231335

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethylimino)-2,4-diazabicyclo[5.5.0]dodeca-4,7,9,11-tetraen-5-amine?
The IUPAC name of 3-(cyclohexylmethylimino)-2,4-diazabicyclo[5.5.0]dodeca-4,7,9,11-tetraen-5-amine (CID 142229283) is 3-(cyclohexylmethylimino)-2,4-diazabicyclo[5.5.0]dodeca-4,7,9,11-tetraen-5-amine.
What is the SMILES notation for 3-(cyclohexylmethylimino)-2,4-diazabicyclo[5.5.0]dodeca-4,7,9,11-tetraen-5-amine?
The canonical SMILES for 3-(cyclohexylmethylimino)-2,4-diazabicyclo[5.5.0]dodeca-4,7,9,11-tetraen-5-amine is NC1=N/C(=N\CC2CCCCC2)NC2C=CC=CC=C2C1.
What is the InChIKey of 3-(cyclohexylmethylimino)-2,4-diazabicyclo[5.5.0]dodeca-4,7,9,11-tetraen-5-amine?
The InChIKey is HPLRNGIHUILTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c18-16-11-14-9-5-2-6-10-15(14)20-17(21-16)19-12-13-7-3-1-4-8-13/h2,5-6,9-10,13,15H,1,3-4,7-8,11-12H2,(H3,18,19,20,21).
What are the key properties of 3-(cyclohexylmethylimino)-2,4-diazabicyclo[5.5.0]dodeca-4,7,9,11-tetraen-5-amine?
3-(cyclohexylmethylimino)-2,4-diazabicyclo[5.5.0]dodeca-4,7,9,11-tetraen-5-amine has a molecular weight of 284.41 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethylimino)-2,4-diazabicyclo[5.5.0]dodeca-4,7,9,11-tetraen-5-amine is sourced from PubChem (CID 142229283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).