2-(aminomethyl)-N,4,4-trimethyl-N-(pyridin-2-ylmethyl)pentanamide

C15H25N3O — CID 107471201

IUPAC2-(aminomethyl)-N,4,4-trimethyl-N-(pyridin-2-ylmethyl)pentanamide
SMILESCN(Cc1ccccn1)C(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C15H25N3O/c1-15(2,3)9-12(10-16)14(19)18(4)11-13-7-5-6-8-17-13/h5-8,12H,9-11,16H2,1-4H3
InChIKeyQKFDFAICMWEMRK-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.05
Rot. Bonds5

About 2-(aminomethyl)-N,4,4-trimethyl-N-(pyridin-2-ylmethyl)pentanamide

2-(aminomethyl)-N,4,4-trimethyl-N-(pyridin-2-ylmethyl)pentanamide (PubChem CID 107471201) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(aminomethyl)-N,4,4-trimethyl-N-(pyridin-2-ylmethyl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N,4,4-trimethyl-N-(pyridin-2-ylmethyl)pentanamide
PubChem CID107471201
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-(aminomethyl)-N,4,4-trimethyl-N-(pyridin-2-ylmethyl)pentanamide
SMILESCN(Cc1ccccn1)C(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C15H25N3O/c1-15(2,3)9-12(10-16)14(19)18(4)11-13-7-5-6-8-17-13/h5-8,12H,9-11,16H2,1-4H3
InChIKeyQKFDFAICMWEMRK-UHFFFAOYSA-N
XLogP2.05
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
CID 43565135
2-hydroxy-N,2-dimethyl-N-(pyridin-2-ylmethyl)propanamide
CID 104936654
2-(aminomethyl)-N,4,4-trimethyl-N-[(4-methylphenyl)methyl]pentanamide
CID 107471089
3-methyl-2-[methyl(pyridin-2-ylmethyl)carbamoyl]butanoic acid
CID 115186252
N'-methyl-N'-(pyridin-2-ylmethyl)oxamide
CID 115192026
3-amino-N,2-dimethyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride
CID 119958567
2,2-dimethyl-4-[methyl(pyridin-2-ylmethyl)amino]-4-oxobutanoic acid
CID 65302187
4-amino-3-[methyl(pyridin-2-ylmethyl)amino]butanamide
CID 66427540
(2R)-2-amino-N,N-dimethyl-3-pyridin-2-ylpropanamide
CID 73439082
4-amino-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 43564701
1-amino-N-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 65466995
(2R)-2-amino-3,3-dimethyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)butanamide
CID 103929297

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N,4,4-trimethyl-N-(pyridin-2-ylmethyl)pentanamide?
The IUPAC name of 2-(aminomethyl)-N,4,4-trimethyl-N-(pyridin-2-ylmethyl)pentanamide (CID 107471201) is 2-(aminomethyl)-N,4,4-trimethyl-N-(pyridin-2-ylmethyl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N,4,4-trimethyl-N-(pyridin-2-ylmethyl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-N,4,4-trimethyl-N-(pyridin-2-ylmethyl)pentanamide is CN(Cc1ccccn1)C(=O)C(CN)CC(C)(C)C.
What is the InChIKey of 2-(aminomethyl)-N,4,4-trimethyl-N-(pyridin-2-ylmethyl)pentanamide?
The InChIKey is QKFDFAICMWEMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-15(2,3)9-12(10-16)14(19)18(4)11-13-7-5-6-8-17-13/h5-8,12H,9-11,16H2,1-4H3.
What are the key properties of 2-(aminomethyl)-N,4,4-trimethyl-N-(pyridin-2-ylmethyl)pentanamide?
2-(aminomethyl)-N,4,4-trimethyl-N-(pyridin-2-ylmethyl)pentanamide has a molecular weight of 263.38 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N,4,4-trimethyl-N-(pyridin-2-ylmethyl)pentanamide is sourced from PubChem (CID 107471201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).