2-amino-2-methyl-5-[methyl(oxan-4-ylmethyl)amino]pentanamide

C13H27N3O2 — CID 63712858

IUPAC2-amino-2-methyl-5-[methyl(oxan-4-ylmethyl)amino]pentanamide
SMILESCN(CCCC(C)(N)C(N)=O)CC1CCOCC1
InChIInChI=1S/C13H27N3O2/c1-13(15,12(14)17)6-3-7-16(2)10-11-4-8-18-9-5-11/h11H,3-10,15H2,1-2H3,(H2,14,17)
InChIKeyYXTGMDQJZCEAIN-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.33
Rot. Bonds7

About 2-amino-2-methyl-5-[methyl(oxan-4-ylmethyl)amino]pentanamide

2-amino-2-methyl-5-[methyl(oxan-4-ylmethyl)amino]pentanamide (PubChem CID 63712858) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-amino-2-methyl-5-[methyl(oxan-4-ylmethyl)amino]pentanamide.

Molecular Properties

Compound Name2-amino-2-methyl-5-[methyl(oxan-4-ylmethyl)amino]pentanamide
PubChem CID63712858
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name2-amino-2-methyl-5-[methyl(oxan-4-ylmethyl)amino]pentanamide
SMILESCN(CCCC(C)(N)C(N)=O)CC1CCOCC1
InChIInChI=1S/C13H27N3O2/c1-13(15,12(14)17)6-3-7-16(2)10-11-4-8-18-9-5-11/h11H,3-10,15H2,1-2H3,(H2,14,17)
InChIKeyYXTGMDQJZCEAIN-UHFFFAOYSA-N
XLogP0.33
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-methyl-5-[methyl(oxan-3-ylmethyl)amino]pentanamide
CID 55226248
2-amino-2-methyl-5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanamide
CID 63236966
2-methyl-2-(methylamino)-5-[methyl(oxan-4-ylmethyl)amino]pentanoic acid
CID 63711272
1-amino-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butan-2-ol
CID 64819145
2-(cyclopropylamino)-2-methyl-6-[methyl(oxan-4-ylmethyl)amino]hexan-1-ol
CID 64790597
2-(ethylamino)-2-methyl-6-[methyl(oxan-4-ylmethyl)amino]hexanoic acid
CID 63711791
2-ethyl-2-(ethylamino)-5-[methyl(oxan-4-ylmethyl)amino]pentanoic acid
CID 106806277
N'-hydroxy-5-[methyl(oxan-4-ylmethyl)amino]pentanimidamide
CID 76951572
methyl 2-methyl-2-(methylamino)-4-[methyl(oxan-4-ylmethyl)amino]butanoate
CID 63711102
2-amino-N,2-dimethyl-N-(oxan-4-ylmethyl)butanamide
CID 79812019
N',2-dimethyl-N'-(oxan-4-ylmethyl)pentane-1,5-diamine
CID 82017136
2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butan-1-ol
CID 64791196

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-5-[methyl(oxan-4-ylmethyl)amino]pentanamide?
The IUPAC name of 2-amino-2-methyl-5-[methyl(oxan-4-ylmethyl)amino]pentanamide (CID 63712858) is 2-amino-2-methyl-5-[methyl(oxan-4-ylmethyl)amino]pentanamide.
What is the SMILES notation for 2-amino-2-methyl-5-[methyl(oxan-4-ylmethyl)amino]pentanamide?
The canonical SMILES for 2-amino-2-methyl-5-[methyl(oxan-4-ylmethyl)amino]pentanamide is CN(CCCC(C)(N)C(N)=O)CC1CCOCC1.
What is the InChIKey of 2-amino-2-methyl-5-[methyl(oxan-4-ylmethyl)amino]pentanamide?
The InChIKey is YXTGMDQJZCEAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-13(15,12(14)17)6-3-7-16(2)10-11-4-8-18-9-5-11/h11H,3-10,15H2,1-2H3,(H2,14,17).
What are the key properties of 2-amino-2-methyl-5-[methyl(oxan-4-ylmethyl)amino]pentanamide?
2-amino-2-methyl-5-[methyl(oxan-4-ylmethyl)amino]pentanamide has a molecular weight of 257.38 g/mol, XLogP of 0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-5-[methyl(oxan-4-ylmethyl)amino]pentanamide is sourced from PubChem (CID 63712858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).