2-(aminomethyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)butanamide

C13H26N2O2 — CID 113270028

IUPAC2-(aminomethyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)butanamide
SMILESCCC(C)(CN)C(=O)N(C)CC1CCCCO1
InChIInChI=1S/C13H26N2O2/c1-4-13(2,10-14)12(16)15(3)9-11-7-5-6-8-17-11/h11H,4-10,14H2,1-3H3
InChIKeyWFTAEYQCERGSDF-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.39
Rot. Bonds5

About 2-(aminomethyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)butanamide

2-(aminomethyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)butanamide (PubChem CID 113270028) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)butanamide
PubChem CID113270028
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-(aminomethyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)butanamide
SMILESCCC(C)(CN)C(=O)N(C)CC1CCCCO1
InChIInChI=1S/C13H26N2O2/c1-4-13(2,10-14)12(16)15(3)9-11-7-5-6-8-17-11/h11H,4-10,14H2,1-3H3
InChIKeyWFTAEYQCERGSDF-UHFFFAOYSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N,2-dimethyl-N-(oxan-2-ylmethyl)pentanamide;hydrochloride
CID 119746358
3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(oxan-2-ylmethyl)propanamide
CID 76921233
methyl(oxolan-2-ylmethyl)carbamic acid
CID 90935828
3-amino-1-methyl-1-(oxan-2-ylmethyl)urea
CID 61436031
2-methyl-2-[methyl(oxan-2-ylmethyl)amino]butanoic acid
CID 114996677
N-methyl-N-(oxan-2-ylmethyl)cyclopropanecarboxamide
CID 61150958
N-methyl-N-(oxolan-2-ylmethyl)carbamoyl chloride
CID 79887071
N,2-dimethyl-N-(oxan-2-ylmethyl)-2-piperidin-3-ylpropanamide
CID 83031069
N-methyl-N-(oxan-2-ylmethyl)prop-2-enamide
CID 61435743
2-methyl-2-[methyl(oxan-2-ylmethyl)amino]propanoic acid
CID 61434067
N-hydroxy-2,2-dimethyl-N-(oxolan-2-ylmethyl)butanamide
CID 131997483
2-[carboxymethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid
CID 63645794

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)butanamide?
The IUPAC name of 2-(aminomethyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)butanamide (CID 113270028) is 2-(aminomethyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)butanamide is CCC(C)(CN)C(=O)N(C)CC1CCCCO1.
What is the InChIKey of 2-(aminomethyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)butanamide?
The InChIKey is WFTAEYQCERGSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-13(2,10-14)12(16)15(3)9-11-7-5-6-8-17-11/h11H,4-10,14H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)butanamide?
2-(aminomethyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)butanamide has a molecular weight of 242.36 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)butanamide is sourced from PubChem (CID 113270028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).