N-[(1-cyclopropylcyclopropyl)methyl]cinnolin-4-amine

C15H17N3 — CID 114096455

IUPACN-[(1-cyclopropylcyclopropyl)methyl]cinnolin-4-amine
SMILESc1ccc2c(NCC3(C4CC4)CC3)cnnc2c1
InChIInChI=1S/C15H17N3/c1-2-4-13-12(3-1)14(9-17-18-13)16-10-15(7-8-15)11-5-6-11/h1-4,9,11H,5-8,10H2,(H,16,18)
InChIKeyOATRAEDRKJNMGL-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.23
Rot. Bonds4

About N-[(1-cyclopropylcyclopropyl)methyl]cinnolin-4-amine

N-[(1-cyclopropylcyclopropyl)methyl]cinnolin-4-amine (PubChem CID 114096455) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[(1-cyclopropylcyclopropyl)methyl]cinnolin-4-amine.

Molecular Properties

Compound NameN-[(1-cyclopropylcyclopropyl)methyl]cinnolin-4-amine
PubChem CID114096455
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC NameN-[(1-cyclopropylcyclopropyl)methyl]cinnolin-4-amine
SMILESc1ccc2c(NCC3(C4CC4)CC3)cnnc2c1
InChIInChI=1S/C15H17N3/c1-2-4-13-12(3-1)14(9-17-18-13)16-10-15(7-8-15)11-5-6-11/h1-4,9,11H,5-8,10H2,(H,16,18)
InChIKeyOATRAEDRKJNMGL-UHFFFAOYSA-N
XLogP3.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]cinnolin-4-amine?
The IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]cinnolin-4-amine (CID 114096455) is N-[(1-cyclopropylcyclopropyl)methyl]cinnolin-4-amine.
What is the SMILES notation for N-[(1-cyclopropylcyclopropyl)methyl]cinnolin-4-amine?
The canonical SMILES for N-[(1-cyclopropylcyclopropyl)methyl]cinnolin-4-amine is c1ccc2c(NCC3(C4CC4)CC3)cnnc2c1.
What is the InChIKey of N-[(1-cyclopropylcyclopropyl)methyl]cinnolin-4-amine?
The InChIKey is OATRAEDRKJNMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-2-4-13-12(3-1)14(9-17-18-13)16-10-15(7-8-15)11-5-6-11/h1-4,9,11H,5-8,10H2,(H,16,18).
What are the key properties of N-[(1-cyclopropylcyclopropyl)methyl]cinnolin-4-amine?
N-[(1-cyclopropylcyclopropyl)methyl]cinnolin-4-amine has a molecular weight of 239.32 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylcyclopropyl)methyl]cinnolin-4-amine is sourced from PubChem (CID 114096455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).