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

C14H26N4 — CID 81199089

IUPAC2-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(methylamino)propanenitrile
SMILESCNC(C)(C#N)CN1CCC2C(CCCN2C)C1
InChIInChI=1S/C14H26N4/c1-14(10-15,16-2)11-18-8-6-13-12(9-18)5-4-7-17(13)3/h12-13,16H,4-9,11H2,1-3H3
InChIKeyPTQOKGAYXBNPCU-UHFFFAOYSA-N
MW250.39 g/mol
LogP0.90
Rot. Bonds3

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

2-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(methylamino)propanenitrile (PubChem CID 81199089) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(methylamino)propanenitrile.

Molecular Properties

Compound Name2-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(methylamino)propanenitrile
PubChem CID81199089
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name2-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(methylamino)propanenitrile
SMILESCNC(C)(C#N)CN1CCC2C(CCCN2C)C1
InChIInChI=1S/C14H26N4/c1-14(10-15,16-2)11-18-8-6-13-12(9-18)5-4-7-17(13)3/h12-13,16H,4-9,11H2,1-3H3
InChIKeyPTQOKGAYXBNPCU-UHFFFAOYSA-N
XLogP0.90
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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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Related Compounds

2-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(propan-2-ylamino)propanenitrile
CID 81198661
2-amino-2-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butanenitrile
CID 81199812
N,2-dimethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]butan-1-amine
CID 81200343
N-ethyl-2-methyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]butan-1-amine
CID 81200539
2-methyl-N-[2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethyl]propan-2-amine
CID 81197694
2-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(propan-2-ylamino)propan-1-ol
CID 81205687
3-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanenitrile
CID 63165200
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methyl-2-(methylamino)propanenitrile
CID 79943938
2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]-2-propylpentane-1-thiol
CID 81195715
2-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butan-2-amine
CID 81200290
4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(propan-2-ylamino)butanenitrile
CID 81199404
3-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)propanenitrile
CID 63634175

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(methylamino)propanenitrile?
The IUPAC name of 2-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(methylamino)propanenitrile (CID 81199089) is 2-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(methylamino)propanenitrile.
What is the SMILES notation for 2-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(methylamino)propanenitrile?
The canonical SMILES for 2-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(methylamino)propanenitrile is CNC(C)(C#N)CN1CCC2C(CCCN2C)C1.
What is the InChIKey of 2-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(methylamino)propanenitrile?
The InChIKey is PTQOKGAYXBNPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-14(10-15,16-2)11-18-8-6-13-12(9-18)5-4-7-17(13)3/h12-13,16H,4-9,11H2,1-3H3.
What are the key properties of 2-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(methylamino)propanenitrile?
2-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(methylamino)propanenitrile has a molecular weight of 250.39 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(methylamino)propanenitrile is sourced from PubChem (CID 81199089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).