3-(aminomethyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)pentanamide

C12H26N2O3 — CID 106254861

IUPAC3-(aminomethyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)pentanamide
SMILESCCC(CN)CC(=O)NCC(C)(O)CCOC
InChIInChI=1S/C12H26N2O3/c1-4-10(8-13)7-11(15)14-9-12(2,16)5-6-17-3/h10,16H,4-9,13H2,1-3H3,(H,14,15)
InChIKeyXQZIWAGXJOPZRW-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.27
Rot. Bonds9

About 3-(aminomethyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)pentanamide

3-(aminomethyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)pentanamide (PubChem CID 106254861) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)pentanamide
PubChem CID106254861
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name3-(aminomethyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)pentanamide
SMILESCCC(CN)CC(=O)NCC(C)(O)CCOC
InChIInChI=1S/C12H26N2O3/c1-4-10(8-13)7-11(15)14-9-12(2,16)5-6-17-3/h10,16H,4-9,13H2,1-3H3,(H,14,15)
InChIKeyXQZIWAGXJOPZRW-UHFFFAOYSA-N
XLogP0.27
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-4-ethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)hexanamide
CID 106254569
3-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)pentanamide
CID 81079509
N-(2-hydroxy-4-methoxy-2-methylbutyl)butanamide
CID 103712321
3-(aminomethyl)-N-(2,2-dimethylbutyl)pentanamide
CID 103461469
3-(aminomethyl)-N-(2,2-dimethylheptyl)pentanamide
CID 81080690
3-(aminomethyl)-N-(4-methoxybutyl)pentanamide
CID 81087341
2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)butanamide
CID 106254850
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103944415
N-(2-hydroxy-4-methoxy-2-methylbutyl)but-3-ynamide
CID 106249974
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,2-dimethylbutanamide
CID 103712407
2-[[3-(aminomethyl)pentanoylamino]methyl]-2-ethylbutanoic acid
CID 113308612
2-tert-butylsulfanyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
CID 103712613

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)pentanamide?
The IUPAC name of 3-(aminomethyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)pentanamide (CID 106254861) is 3-(aminomethyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)pentanamide is CCC(CN)CC(=O)NCC(C)(O)CCOC.
What is the InChIKey of 3-(aminomethyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)pentanamide?
The InChIKey is XQZIWAGXJOPZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-4-10(8-13)7-11(15)14-9-12(2,16)5-6-17-3/h10,16H,4-9,13H2,1-3H3,(H,14,15).
What are the key properties of 3-(aminomethyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)pentanamide?
3-(aminomethyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)pentanamide has a molecular weight of 246.35 g/mol, XLogP of 0.27, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)pentanamide is sourced from PubChem (CID 106254861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).