1-cinnolin-4-yl-N-ethylpropan-2-amine

C13H17N3 — CID 63586050

IUPAC1-cinnolin-4-yl-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1cnnc2ccccc12
InChIInChI=1S/C13H17N3/c1-3-14-10(2)8-11-9-15-16-13-7-5-4-6-12(11)13/h4-7,9-10,14H,3,8H2,1-2H3
InChIKeyAPXJIJNMXFBJDF-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.17
Rot. Bonds4

About 1-cinnolin-4-yl-N-ethylpropan-2-amine

1-cinnolin-4-yl-N-ethylpropan-2-amine (PubChem CID 63586050) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-cinnolin-4-yl-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-cinnolin-4-yl-N-ethylpropan-2-amine
PubChem CID63586050
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name1-cinnolin-4-yl-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1cnnc2ccccc12
InChIInChI=1S/C13H17N3/c1-3-14-10(2)8-11-9-15-16-13-7-5-4-6-12(11)13/h4-7,9-10,14H,3,8H2,1-2H3
InChIKeyAPXJIJNMXFBJDF-UHFFFAOYSA-N
XLogP2.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-phthalazin-1-ylpropan-2-amine
CID 63200208
4-ethylcinnoline
CID 54530021
1-cinnolin-4-yl-3-methoxy-N-propylpropan-2-amine
CID 63587341
4-(2,2-dimethylpropyl)cinnoline
CID 130295977
N-ethyl-1-(2-methylphenyl)propan-2-amine
CID 14025646
(2S)-1-(1-benzoselenophen-3-yl)-N-ethylpropan-2-amine
CID 169026508
1-(2-chlorophenyl)-N-ethylpropan-2-amine
CID 43677539
N-hexan-2-ylcinnolin-4-amine
CID 63586030
2-cinnolin-4-yl-1-cyclopropylethanol
CID 63587148
4-(2-chloro-2-cyclopropylethyl)cinnoline
CID 63588291
N-heptan-2-ylcinnolin-4-amine
CID 63587119
N-propan-2-ylcinnolin-4-amine
CID 39733520

Frequently Asked Questions

What is the IUPAC name of 1-cinnolin-4-yl-N-ethylpropan-2-amine?
The IUPAC name of 1-cinnolin-4-yl-N-ethylpropan-2-amine (CID 63586050) is 1-cinnolin-4-yl-N-ethylpropan-2-amine.
What is the SMILES notation for 1-cinnolin-4-yl-N-ethylpropan-2-amine?
The canonical SMILES for 1-cinnolin-4-yl-N-ethylpropan-2-amine is CCNC(C)Cc1cnnc2ccccc12.
What is the InChIKey of 1-cinnolin-4-yl-N-ethylpropan-2-amine?
The InChIKey is APXJIJNMXFBJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-3-14-10(2)8-11-9-15-16-13-7-5-4-6-12(11)13/h4-7,9-10,14H,3,8H2,1-2H3.
What are the key properties of 1-cinnolin-4-yl-N-ethylpropan-2-amine?
1-cinnolin-4-yl-N-ethylpropan-2-amine has a molecular weight of 215.30 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cinnolin-4-yl-N-ethylpropan-2-amine is sourced from PubChem (CID 63586050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).