N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide

C16H25N3O — CID 62641372

IUPACN-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide
SMILESCC(C)N(C)CCNC(=O)C1CCc2ccccc2N1
InChIInChI=1S/C16H25N3O/c1-12(2)19(3)11-10-17-16(20)15-9-8-13-6-4-5-7-14(13)18-15/h4-7,12,15,18H,8-11H2,1-3H3,(H,17,20)
InChIKeyPIAFZWVQJPMSRW-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.87
Rot. Bonds5

About N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide

N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide (PubChem CID 62641372) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide
PubChem CID62641372
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide
SMILESCC(C)N(C)CCNC(=O)C1CCc2ccccc2N1
InChIInChI=1S/C16H25N3O/c1-12(2)19(3)11-10-17-16(20)15-9-8-13-6-4-5-7-14(13)18-15/h4-7,12,15,18H,8-11H2,1-3H3,(H,17,20)
InChIKeyPIAFZWVQJPMSRW-UHFFFAOYSA-N
XLogP1.87
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide?
The IUPAC name of N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide (CID 62641372) is N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide.
What is the SMILES notation for N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide?
The canonical SMILES for N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide is CC(C)N(C)CCNC(=O)C1CCc2ccccc2N1.
What is the InChIKey of N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide?
The InChIKey is PIAFZWVQJPMSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12(2)19(3)11-10-17-16(20)15-9-8-13-6-4-5-7-14(13)18-15/h4-7,12,15,18H,8-11H2,1-3H3,(H,17,20).
What are the key properties of N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide?
N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide is sourced from PubChem (CID 62641372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).