4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(methylamino)butanamide

C14H27N3O — CID 63053002

IUPAC4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(methylamino)butanamide
SMILESCNC(CCN1CCCC2CCCCC21)C(N)=O
InChIInChI=1S/C14H27N3O/c1-16-12(14(15)18)8-10-17-9-4-6-11-5-2-3-7-13(11)17/h11-13,16H,2-10H2,1H3,(H2,15,18)
InChIKeyCVTXZOKZQSBMNN-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.10
Rot. Bonds5

About 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(methylamino)butanamide

4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(methylamino)butanamide (PubChem CID 63053002) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(methylamino)butanamide.

Molecular Properties

Compound Name4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(methylamino)butanamide
PubChem CID63053002
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(methylamino)butanamide
SMILESCNC(CCN1CCCC2CCCCC21)C(N)=O
InChIInChI=1S/C14H27N3O/c1-16-12(14(15)18)8-10-17-9-4-6-11-5-2-3-7-13(11)17/h11-13,16H,2-10H2,1H3,(H2,15,18)
InChIKeyCVTXZOKZQSBMNN-UHFFFAOYSA-N
XLogP1.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(methylamino)butanamide?
The IUPAC name of 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(methylamino)butanamide (CID 63053002) is 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(methylamino)butanamide.
What is the SMILES notation for 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(methylamino)butanamide?
The canonical SMILES for 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(methylamino)butanamide is CNC(CCN1CCCC2CCCCC21)C(N)=O.
What is the InChIKey of 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(methylamino)butanamide?
The InChIKey is CVTXZOKZQSBMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-16-12(14(15)18)8-10-17-9-4-6-11-5-2-3-7-13(11)17/h11-13,16H,2-10H2,1H3,(H2,15,18).
What are the key properties of 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(methylamino)butanamide?
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(methylamino)butanamide has a molecular weight of 253.39 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(methylamino)butanamide is sourced from PubChem (CID 63053002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).