2-(aminomethyl)-4,4-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pentanamide

C13H26N2O2 — CID 107472428

IUPAC2-(aminomethyl)-4,4-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pentanamide
SMILESCC(C)(C)CC(CN)C(=O)NCC1(C)COC1
InChIInChI=1S/C13H26N2O2/c1-12(2,3)5-10(6-14)11(16)15-7-13(4)8-17-9-13/h10H,5-9,14H2,1-4H3,(H,15,16)
InChIKeyANEQKEFXAWQUPW-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.15
Rot. Bonds5

About 2-(aminomethyl)-4,4-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pentanamide

2-(aminomethyl)-4,4-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pentanamide (PubChem CID 107472428) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-(aminomethyl)-4,4-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-4,4-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pentanamide
PubChem CID107472428
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-(aminomethyl)-4,4-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pentanamide
SMILESCC(C)(C)CC(CN)C(=O)NCC1(C)COC1
InChIInChI=1S/C13H26N2O2/c1-12(2,3)5-10(6-14)11(16)15-7-13(4)8-17-9-13/h10H,5-9,14H2,1-4H3,(H,15,16)
InChIKeyANEQKEFXAWQUPW-UHFFFAOYSA-N
XLogP1.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-4,4-dimethyl-N-[(1-propan-2-ylcyclopropyl)methyl]pentanamide
CID 114094166
2-[1-[[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]methyl]cyclobutyl]acetic acid
CID 107472478
2-(aminomethyl)-4,4-dimethyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 107471024
2-(aminomethyl)-4,4-dimethyl-N-(1-methylcyclopentyl)pentanamide
CID 107471899
3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]propanoic acid
CID 107471719
2-(aminomethyl)-N-(2,2-dimethylcyclopropyl)-4,4-dimethylpentanamide
CID 107471991
2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide
CID 107471820
2-(aminomethyl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4,4-dimethylpentanamide
CID 107472285
N-[2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]ethyl]cyclopropanecarboxamide
CID 107472733
2-(aminomethyl)-4,4-dimethyl-N-(4-methylpentyl)pentanamide
CID 107471697
3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-2-methylpropanoic acid
CID 107472063
4-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]butanoic acid
CID 107471722

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4,4-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pentanamide?
The IUPAC name of 2-(aminomethyl)-4,4-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pentanamide (CID 107472428) is 2-(aminomethyl)-4,4-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pentanamide.
What is the SMILES notation for 2-(aminomethyl)-4,4-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pentanamide?
The canonical SMILES for 2-(aminomethyl)-4,4-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pentanamide is CC(C)(C)CC(CN)C(=O)NCC1(C)COC1.
What is the InChIKey of 2-(aminomethyl)-4,4-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pentanamide?
The InChIKey is ANEQKEFXAWQUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-12(2,3)5-10(6-14)11(16)15-7-13(4)8-17-9-13/h10H,5-9,14H2,1-4H3,(H,15,16).
What are the key properties of 2-(aminomethyl)-4,4-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pentanamide?
2-(aminomethyl)-4,4-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pentanamide has a molecular weight of 242.36 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4,4-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pentanamide is sourced from PubChem (CID 107472428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).