2-(aminomethyl)-N-(quinolin-8-ylmethyl)pentanamide

C16H21N3O — CID 81428409

IUPAC2-(aminomethyl)-N-(quinolin-8-ylmethyl)pentanamide
SMILESCCCC(CN)C(=O)NCc1cccc2cccnc12
InChIInChI=1S/C16H21N3O/c1-2-5-13(10-17)16(20)19-11-14-7-3-6-12-8-4-9-18-15(12)14/h3-4,6-9,13H,2,5,10-11,17H2,1H3,(H,19,20)
InChIKeyPEBMNGIBUFIKHR-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.23
Rot. Bonds6

About 2-(aminomethyl)-N-(quinolin-8-ylmethyl)pentanamide

2-(aminomethyl)-N-(quinolin-8-ylmethyl)pentanamide (PubChem CID 81428409) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(quinolin-8-ylmethyl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(quinolin-8-ylmethyl)pentanamide
PubChem CID81428409
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-(aminomethyl)-N-(quinolin-8-ylmethyl)pentanamide
SMILESCCCC(CN)C(=O)NCc1cccc2cccnc12
InChIInChI=1S/C16H21N3O/c1-2-5-13(10-17)16(20)19-11-14-7-3-6-12-8-4-9-18-15(12)14/h3-4,6-9,13H,2,5,10-11,17H2,1H3,(H,19,20)
InChIKeyPEBMNGIBUFIKHR-UHFFFAOYSA-N
XLogP2.23
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(quinolin-8-ylmethyl)pentanamide
CID 107570250
2-amino-N-(quinolin-8-ylmethyl)propanamide
CID 81427001
2-bromo-3-methyl-N-(quinolin-8-ylmethyl)butanamide
CID 81428744
2-amino-3-methoxy-N-(quinolin-8-ylmethyl)propanamide
CID 81428067
2-amino-2-methyl-N-(quinolin-8-ylmethyl)butanamide
CID 81426473
1-butan-2-yl-3-(quinolin-8-ylmethyl)urea
CID 47470602
2-hydrazinyl-2-oxo-N-(quinolin-8-ylmethyl)acetamide
CID 69377520
2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]pentanamide
CID 62997308
2-(methylamino)-N-(quinolin-8-ylmethyl)acetamide
CID 81427166
N-ethyl-2-(quinolin-8-ylmethylamino)propanamide
CID 43403033
N-(quinolin-8-ylmethyl)-2-sulfanylacetamide
CID 81423056
2-methoxy-N-(quinolin-8-ylmethyl)acetamide
CID 47468683

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(quinolin-8-ylmethyl)pentanamide?
The IUPAC name of 2-(aminomethyl)-N-(quinolin-8-ylmethyl)pentanamide (CID 81428409) is 2-(aminomethyl)-N-(quinolin-8-ylmethyl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(quinolin-8-ylmethyl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(quinolin-8-ylmethyl)pentanamide is CCCC(CN)C(=O)NCc1cccc2cccnc12.
What is the InChIKey of 2-(aminomethyl)-N-(quinolin-8-ylmethyl)pentanamide?
The InChIKey is PEBMNGIBUFIKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-5-13(10-17)16(20)19-11-14-7-3-6-12-8-4-9-18-15(12)14/h3-4,6-9,13H,2,5,10-11,17H2,1H3,(H,19,20).
What are the key properties of 2-(aminomethyl)-N-(quinolin-8-ylmethyl)pentanamide?
2-(aminomethyl)-N-(quinolin-8-ylmethyl)pentanamide has a molecular weight of 271.36 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(quinolin-8-ylmethyl)pentanamide is sourced from PubChem (CID 81428409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).