2-amino-2-methyl-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile

C16H23N3 — CID 63465804

IUPAC2-amino-2-methyl-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile
SMILESCC1Cc2ccccc2N(CCCC(C)(N)C#N)C1
InChIInChI=1S/C16H23N3/c1-13-10-14-6-3-4-7-15(14)19(11-13)9-5-8-16(2,18)12-17/h3-4,6-7,13H,5,8-11,18H2,1-2H3
InChIKeyRGAMIZMNLLLVAY-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.71
Rot. Bonds4

About 2-amino-2-methyl-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile

2-amino-2-methyl-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile (PubChem CID 63465804) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-amino-2-methyl-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile.

Molecular Properties

Compound Name2-amino-2-methyl-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile
PubChem CID63465804
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-amino-2-methyl-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile
SMILESCC1Cc2ccccc2N(CCCC(C)(N)C#N)C1
InChIInChI=1S/C16H23N3/c1-13-10-14-6-3-4-7-15(14)19(11-13)9-5-8-16(2,18)12-17/h3-4,6-7,13H,5,8-11,18H2,1-2H3
InChIKeyRGAMIZMNLLLVAY-UHFFFAOYSA-N
XLogP2.71
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile?
The IUPAC name of 2-amino-2-methyl-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile (CID 63465804) is 2-amino-2-methyl-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile.
What is the SMILES notation for 2-amino-2-methyl-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile?
The canonical SMILES for 2-amino-2-methyl-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile is CC1Cc2ccccc2N(CCCC(C)(N)C#N)C1.
What is the InChIKey of 2-amino-2-methyl-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile?
The InChIKey is RGAMIZMNLLLVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-13-10-14-6-3-4-7-15(14)19(11-13)9-5-8-16(2,18)12-17/h3-4,6-7,13H,5,8-11,18H2,1-2H3.
What are the key properties of 2-amino-2-methyl-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile?
2-amino-2-methyl-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile has a molecular weight of 257.38 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile is sourced from PubChem (CID 63465804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).