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

C14H26N4 — CID 81199812

IUPAC2-amino-2-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butanenitrile
SMILESCN1CCCC2CN(CCC(C)(N)C#N)CCC21
InChIInChI=1S/C14H26N4/c1-14(16,11-15)6-9-18-8-5-13-12(10-18)4-3-7-17(13)2/h12-13H,3-10,16H2,1-2H3
InChIKeyQIENDDCDQXELCR-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.03
Rot. Bonds3

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

2-amino-2-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butanenitrile (PubChem CID 81199812) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-amino-2-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butanenitrile.

Molecular Properties

Compound Name2-amino-2-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butanenitrile
PubChem CID81199812
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name2-amino-2-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butanenitrile
SMILESCN1CCCC2CN(CCC(C)(N)C#N)CCC21
InChIInChI=1S/C14H26N4/c1-14(16,11-15)6-9-18-8-5-13-12(10-18)4-3-7-17(13)2/h12-13H,3-10,16H2,1-2H3
InChIKeyQIENDDCDQXELCR-UHFFFAOYSA-N
XLogP1.03
TPSA56.29 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 ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butan-2-amine
CID 81200290
2-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(methylamino)propanenitrile
CID 81199089
2-amino-4-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylbutanenitrile
CID 130979620
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-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylbutanenitrile
CID 63165286
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
4,4-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-3-ol
CID 81200552
4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(propan-2-ylamino)butanenitrile
CID 81199404
2,2-dimethyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)hexanoic acid
CID 106714107
3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanamide
CID 81198649
5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-2-amine
CID 81199860
1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-phenylpropan-2-amine
CID 81199527

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butanenitrile?
The IUPAC name of 2-amino-2-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butanenitrile (CID 81199812) is 2-amino-2-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butanenitrile.
What is the SMILES notation for 2-amino-2-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butanenitrile?
The canonical SMILES for 2-amino-2-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butanenitrile is CN1CCCC2CN(CCC(C)(N)C#N)CCC21.
What is the InChIKey of 2-amino-2-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butanenitrile?
The InChIKey is QIENDDCDQXELCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-14(16,11-15)6-9-18-8-5-13-12(10-18)4-3-7-17(13)2/h12-13H,3-10,16H2,1-2H3.
What are the key properties of 2-amino-2-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butanenitrile?
2-amino-2-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butanenitrile has a molecular weight of 250.39 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butanenitrile is sourced from PubChem (CID 81199812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).