2-(ethylamino)-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanenitrile

C14H26N4 — CID 81198797

IUPAC2-(ethylamino)-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanenitrile
SMILESCCNC(C#N)CN1CCC2C(CCCN2C)C1
InChIInChI=1S/C14H26N4/c1-3-16-13(9-15)11-18-8-6-14-12(10-18)5-4-7-17(14)2/h12-14,16H,3-8,10-11H2,1-2H3
InChIKeyFBFRGTNTFQEXAX-UHFFFAOYSA-N
MW250.39 g/mol
LogP0.90
Rot. Bonds4

About 2-(ethylamino)-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanenitrile

2-(ethylamino)-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanenitrile (PubChem CID 81198797) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-(ethylamino)-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanenitrile
PubChem CID81198797
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name2-(ethylamino)-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanenitrile
SMILESCCNC(C#N)CN1CCC2C(CCCN2C)C1
InChIInChI=1S/C14H26N4/c1-3-16-13(9-15)11-18-8-6-14-12(10-18)5-4-7-17(14)2/h12-14,16H,3-8,10-11H2,1-2H3
InChIKeyFBFRGTNTFQEXAX-UHFFFAOYSA-N
XLogP0.90
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanenitrile?
The IUPAC name of 2-(ethylamino)-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanenitrile (CID 81198797) is 2-(ethylamino)-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanenitrile.
What is the SMILES notation for 2-(ethylamino)-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanenitrile?
The canonical SMILES for 2-(ethylamino)-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanenitrile is CCNC(C#N)CN1CCC2C(CCCN2C)C1.
What is the InChIKey of 2-(ethylamino)-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanenitrile?
The InChIKey is FBFRGTNTFQEXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-3-16-13(9-15)11-18-8-6-14-12(10-18)5-4-7-17(14)2/h12-14,16H,3-8,10-11H2,1-2H3.
What are the key properties of 2-(ethylamino)-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanenitrile?
2-(ethylamino)-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanenitrile has a molecular weight of 250.39 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanenitrile is sourced from PubChem (CID 81198797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).