N'-(3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-yl)-N'-methylethane-1,2-diamine

C12H18N4 — CID 103279452

IUPACN'-(3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-yl)-N'-methylethane-1,2-diamine
SMILESCN(CCN)c1ncc2c(n1)C1CCC2C1
InChIInChI=1S/C12H18N4/c1-16(5-4-13)12-14-7-10-8-2-3-9(6-8)11(10)15-12/h7-9H,2-6,13H2,1H3
InChIKeyJJWXCJYBQUTKSH-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.24
Rot. Bonds3

About N'-(3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-yl)-N'-methylethane-1,2-diamine

N'-(3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-yl)-N'-methylethane-1,2-diamine (PubChem CID 103279452) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is N'-(3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-yl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-yl)-N'-methylethane-1,2-diamine
PubChem CID103279452
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC NameN'-(3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-yl)-N'-methylethane-1,2-diamine
SMILESCN(CCN)c1ncc2c(n1)C1CCC2C1
InChIInChI=1S/C12H18N4/c1-16(5-4-13)12-14-7-10-8-2-3-9(6-8)11(10)15-12/h7-9H,2-6,13H2,1H3
InChIKeyJJWXCJYBQUTKSH-UHFFFAOYSA-N
XLogP1.24
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(4-ethyl-5-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 103279506
N'-methyl-N'-([1,2]oxazolo[4,5-d]pyrimidin-5-yl)ethane-1,2-diamine
CID 83830323
2-amino-1-[4-cyclopropyl-2-(dimethylamino)pyrimidin-5-yl]ethanol
CID 83890724
N'-[5-(4-ethylphenyl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine
CID 116977265
N'-(4-tert-butylpyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 103279487
N'-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N'-methylethane-1,2-diamine
CID 103279381
N-phenyl-3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-amine
CID 104609507
N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N'-methylpropane-1,3-diamine
CID 83833504
N'-(4-cyclopropyl-6-methylpyrimidin-2-yl)-N'-methylpropane-1,3-diamine
CID 83837979
N'-methyl-N'-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)ethane-1,2-diamine
CID 103279513
4-cyclopropyl-2-[methyl(propan-2-yl)amino]pyrimidine-5-carboxylic acid
CID 83841869
N'-methyl-N'-(5-pyridin-2-ylpyrimidin-2-yl)ethane-1,2-diamine
CID 116977295

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-yl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-yl)-N'-methylethane-1,2-diamine (CID 103279452) is N'-(3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-yl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-yl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-yl)-N'-methylethane-1,2-diamine is CN(CCN)c1ncc2c(n1)C1CCC2C1.
What is the InChIKey of N'-(3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-yl)-N'-methylethane-1,2-diamine?
The InChIKey is JJWXCJYBQUTKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-16(5-4-13)12-14-7-10-8-2-3-9(6-8)11(10)15-12/h7-9H,2-6,13H2,1H3.
What are the key properties of N'-(3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-yl)-N'-methylethane-1,2-diamine?
N'-(3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-yl)-N'-methylethane-1,2-diamine has a molecular weight of 218.30 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-yl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 103279452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).