7-(1,6-diazabicyclo[4.1.0]heptan-7-yl)-1,6-diazabicyclo[4.1.0]heptane

C10H18N4 — CID 686652

IUPAC7-(1,6-diazabicyclo[4.1.0]heptan-7-yl)-1,6-diazabicyclo[4.1.0]heptane
SMILESC1CCN2C(C3N4CCCCN34)N2C1
InChIInChI=1S/C10H18N4/c1-2-6-12-9(11(12)5-1)10-13-7-3-4-8-14(10)13/h9-10H,1-8H2
InChIKeyKCGOBZMNIBUNCB-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.29
Rot. Bonds1

About 7-(1,6-diazabicyclo[4.1.0]heptan-7-yl)-1,6-diazabicyclo[4.1.0]heptane

7-(1,6-diazabicyclo[4.1.0]heptan-7-yl)-1,6-diazabicyclo[4.1.0]heptane (PubChem CID 686652) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 7-(1,6-diazabicyclo[4.1.0]heptan-7-yl)-1,6-diazabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name7-(1,6-diazabicyclo[4.1.0]heptan-7-yl)-1,6-diazabicyclo[4.1.0]heptane
PubChem CID686652
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name7-(1,6-diazabicyclo[4.1.0]heptan-7-yl)-1,6-diazabicyclo[4.1.0]heptane
SMILESC1CCN2C(C3N4CCCCN34)N2C1
InChIInChI=1S/C10H18N4/c1-2-6-12-9(11(12)5-1)10-13-7-3-4-8-14(10)13/h9-10H,1-8H2
InChIKeyKCGOBZMNIBUNCB-UHFFFAOYSA-N
XLogP0.29
TPSA12.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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1-(4-carboxypiperidin-1-yl)piperidine-2-carboxylic acid
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(16R,17S)-1,5,9,12-tetrazatetracyclo[7.6.2.05,17.012,16]heptadecane
CID 101135242
1,5,9,12-tetrazatetracyclo[7.6.2.05,16.012,17]heptadecane
CID 54122759
5-methyl-2,3,4,4a,7,8,9,10,10a,10b-decahydro-1H-pyrido[1,2-b]indazole
CID 155188783
2-methyl-1-(4-methylpiperidin-1-yl)piperidine
CID 70445187
N-cyclopropylpiperidin-1-amine
CID 57433126
1-[1-(2-pyrrolidin-1-ylpyrrolidin-1-yl)pyrrolidin-2-yl]piperazine
CID 175882463
1,6-diazabicyclo[4.4.1]undecan-11-one
CID 70385964

Frequently Asked Questions

What is the IUPAC name of 7-(1,6-diazabicyclo[4.1.0]heptan-7-yl)-1,6-diazabicyclo[4.1.0]heptane?
The IUPAC name of 7-(1,6-diazabicyclo[4.1.0]heptan-7-yl)-1,6-diazabicyclo[4.1.0]heptane (CID 686652) is 7-(1,6-diazabicyclo[4.1.0]heptan-7-yl)-1,6-diazabicyclo[4.1.0]heptane.
What is the SMILES notation for 7-(1,6-diazabicyclo[4.1.0]heptan-7-yl)-1,6-diazabicyclo[4.1.0]heptane?
The canonical SMILES for 7-(1,6-diazabicyclo[4.1.0]heptan-7-yl)-1,6-diazabicyclo[4.1.0]heptane is C1CCN2C(C3N4CCCCN34)N2C1.
What is the InChIKey of 7-(1,6-diazabicyclo[4.1.0]heptan-7-yl)-1,6-diazabicyclo[4.1.0]heptane?
The InChIKey is KCGOBZMNIBUNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-2-6-12-9(11(12)5-1)10-13-7-3-4-8-14(10)13/h9-10H,1-8H2.
What are the key properties of 7-(1,6-diazabicyclo[4.1.0]heptan-7-yl)-1,6-diazabicyclo[4.1.0]heptane?
7-(1,6-diazabicyclo[4.1.0]heptan-7-yl)-1,6-diazabicyclo[4.1.0]heptane has a molecular weight of 194.28 g/mol, XLogP of 0.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,6-diazabicyclo[4.1.0]heptan-7-yl)-1,6-diazabicyclo[4.1.0]heptane is sourced from PubChem (CID 686652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).