4-[(1-ethylcyclobutyl)methylamino]cinnoline-3-carbonitrile

C16H18N4 — CID 103741750

IUPAC4-[(1-ethylcyclobutyl)methylamino]cinnoline-3-carbonitrile
SMILESCCC1(CNc2c(C#N)nnc3ccccc23)CCC1
InChIInChI=1S/C16H18N4/c1-2-16(8-5-9-16)11-18-15-12-6-3-4-7-13(12)19-20-14(15)10-17/h3-4,6-7H,2,5,8-9,11H2,1H3,(H,18,19)
InChIKeyWNSHTZZJZKSHRV-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.49
Rot. Bonds4

About 4-[(1-ethylcyclobutyl)methylamino]cinnoline-3-carbonitrile

4-[(1-ethylcyclobutyl)methylamino]cinnoline-3-carbonitrile (PubChem CID 103741750) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 4-[(1-ethylcyclobutyl)methylamino]cinnoline-3-carbonitrile.

Molecular Properties

Compound Name4-[(1-ethylcyclobutyl)methylamino]cinnoline-3-carbonitrile
PubChem CID103741750
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name4-[(1-ethylcyclobutyl)methylamino]cinnoline-3-carbonitrile
SMILESCCC1(CNc2c(C#N)nnc3ccccc23)CCC1
InChIInChI=1S/C16H18N4/c1-2-16(8-5-9-16)11-18-15-12-6-3-4-7-13(12)19-20-14(15)10-17/h3-4,6-7H,2,5,8-9,11H2,1H3,(H,18,19)
InChIKeyWNSHTZZJZKSHRV-UHFFFAOYSA-N
XLogP3.49
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-propylcyclopropyl)methylamino]cinnoline-3-carbonitrile
CID 103761703
4-[[1-(hydroxymethyl)cyclopentyl]methylamino]cinnoline-3-carbonitrile
CID 115360612
4-[(1-methylsulfanylcyclobutyl)methylamino]cinnoline-3-carbonitrile
CID 107268715
4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]cinnoline-3-carbonitrile
CID 107269555
4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cinnoline-3-carbonitrile
CID 79359952
4-(2-ethoxyethylamino)cinnoline-3-carbonitrile
CID 64900269
4-[(2-ethyl-2-hydroxybutyl)amino]cinnoline-3-carbonitrile
CID 64982839
4-(2,2,3-trimethylbutylamino)cinnoline-3-carbonitrile
CID 102609039
4-(1,4-dithian-2-ylmethylamino)cinnoline-3-carbonitrile
CID 115685301
4-(5-methylhexylamino)cinnoline-3-carbonitrile
CID 79002738
2-[(1-ethylcyclopropyl)methylamino]quinoline-4-carbonitrile
CID 103736838
4-[(2-amino-2-cyclopropylethyl)amino]cinnoline-3-carbonitrile
CID 115301445

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylcyclobutyl)methylamino]cinnoline-3-carbonitrile?
The IUPAC name of 4-[(1-ethylcyclobutyl)methylamino]cinnoline-3-carbonitrile (CID 103741750) is 4-[(1-ethylcyclobutyl)methylamino]cinnoline-3-carbonitrile.
What is the SMILES notation for 4-[(1-ethylcyclobutyl)methylamino]cinnoline-3-carbonitrile?
The canonical SMILES for 4-[(1-ethylcyclobutyl)methylamino]cinnoline-3-carbonitrile is CCC1(CNc2c(C#N)nnc3ccccc23)CCC1.
What is the InChIKey of 4-[(1-ethylcyclobutyl)methylamino]cinnoline-3-carbonitrile?
The InChIKey is WNSHTZZJZKSHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-2-16(8-5-9-16)11-18-15-12-6-3-4-7-13(12)19-20-14(15)10-17/h3-4,6-7H,2,5,8-9,11H2,1H3,(H,18,19).
What are the key properties of 4-[(1-ethylcyclobutyl)methylamino]cinnoline-3-carbonitrile?
4-[(1-ethylcyclobutyl)methylamino]cinnoline-3-carbonitrile has a molecular weight of 266.35 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylcyclobutyl)methylamino]cinnoline-3-carbonitrile is sourced from PubChem (CID 103741750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).