2-(aminomethyl)-2-ethyl-N-methyl-N-(oxan-3-ylmethyl)butanamide

C14H28N2O2 — CID 55227786

IUPAC2-(aminomethyl)-2-ethyl-N-methyl-N-(oxan-3-ylmethyl)butanamide
SMILESCCC(CC)(CN)C(=O)N(C)CC1CCCOC1
InChIInChI=1S/C14H28N2O2/c1-4-14(5-2,11-15)13(17)16(3)9-12-7-6-8-18-10-12/h12H,4-11,15H2,1-3H3
InChIKeyYNKCLSWRKWSMHI-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.64
Rot. Bonds6

About 2-(aminomethyl)-2-ethyl-N-methyl-N-(oxan-3-ylmethyl)butanamide

2-(aminomethyl)-2-ethyl-N-methyl-N-(oxan-3-ylmethyl)butanamide (PubChem CID 55227786) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-N-methyl-N-(oxan-3-ylmethyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-N-methyl-N-(oxan-3-ylmethyl)butanamide
PubChem CID55227786
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-(aminomethyl)-2-ethyl-N-methyl-N-(oxan-3-ylmethyl)butanamide
SMILESCCC(CC)(CN)C(=O)N(C)CC1CCCOC1
InChIInChI=1S/C14H28N2O2/c1-4-14(5-2,11-15)13(17)16(3)9-12-7-6-8-18-10-12/h12H,4-11,15H2,1-3H3
InChIKeyYNKCLSWRKWSMHI-UHFFFAOYSA-N
XLogP1.64
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)-2-propylpentanamide
CID 63711195
2-amino-N,2-dimethyl-N-(oxan-3-ylmethyl)butanamide
CID 79811911
2-amino-3,3,3-trifluoro-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide
CID 79812018
2-carbamothioyl-N,2-dimethyl-N-(oxan-3-ylmethyl)butanamide
CID 113270652
1-methyl-1-(oxan-3-ylmethyl)urea
CID 63712445
3-amino-N-methyl-N-(oxan-3-ylmethyl)propanamide
CID 63712787
3-amino-N,3-dimethyl-N-(oxan-3-ylmethyl)butanamide
CID 64677670
ethyl 4-[methyl(oxan-3-ylmethyl)amino]-4-oxobutanoate
CID 63717734
2-(4-aminophenyl)-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide
CID 80555110
2-(4-aminocyclohexyl)-N-methyl-N-(oxan-3-ylmethyl)acetamide
CID 63706765
1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cycloheptane-1-carboxamide
CID 63713295
N-methyl-N-(oxan-3-ylmethyl)hydroxylamine
CID 82594564

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-N-methyl-N-(oxan-3-ylmethyl)butanamide?
The IUPAC name of 2-(aminomethyl)-2-ethyl-N-methyl-N-(oxan-3-ylmethyl)butanamide (CID 55227786) is 2-(aminomethyl)-2-ethyl-N-methyl-N-(oxan-3-ylmethyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-N-methyl-N-(oxan-3-ylmethyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-N-methyl-N-(oxan-3-ylmethyl)butanamide is CCC(CC)(CN)C(=O)N(C)CC1CCCOC1.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-N-methyl-N-(oxan-3-ylmethyl)butanamide?
The InChIKey is YNKCLSWRKWSMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-14(5-2,11-15)13(17)16(3)9-12-7-6-8-18-10-12/h12H,4-11,15H2,1-3H3.
What are the key properties of 2-(aminomethyl)-2-ethyl-N-methyl-N-(oxan-3-ylmethyl)butanamide?
2-(aminomethyl)-2-ethyl-N-methyl-N-(oxan-3-ylmethyl)butanamide has a molecular weight of 256.39 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-ethyl-N-methyl-N-(oxan-3-ylmethyl)butanamide is sourced from PubChem (CID 55227786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).