2-(aminomethyl)-N-(3-hydroxy-4-methoxybutyl)-2-methylbutanamide

C11H24N2O3 — CID 106247571

IUPAC2-(aminomethyl)-N-(3-hydroxy-4-methoxybutyl)-2-methylbutanamide
SMILESCCC(C)(CN)C(=O)NCCC(O)COC
InChIInChI=1S/C11H24N2O3/c1-4-11(2,8-12)10(15)13-6-5-9(14)7-16-3/h9,14H,4-8,12H2,1-3H3,(H,13,15)
InChIKeyBDKRKLNKYRHTTC-UHFFFAOYSA-N
MW232.32 g/mol
LogP-0.12
Rot. Bonds8

About 2-(aminomethyl)-N-(3-hydroxy-4-methoxybutyl)-2-methylbutanamide

2-(aminomethyl)-N-(3-hydroxy-4-methoxybutyl)-2-methylbutanamide (PubChem CID 106247571) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-hydroxy-4-methoxybutyl)-2-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-hydroxy-4-methoxybutyl)-2-methylbutanamide
PubChem CID106247571
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name2-(aminomethyl)-N-(3-hydroxy-4-methoxybutyl)-2-methylbutanamide
SMILESCCC(C)(CN)C(=O)NCCC(O)COC
InChIInChI=1S/C11H24N2O3/c1-4-11(2,8-12)10(15)13-6-5-9(14)7-16-3/h9,14H,4-8,12H2,1-3H3,(H,13,15)
InChIKeyBDKRKLNKYRHTTC-UHFFFAOYSA-N
XLogP-0.12
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(2-methoxyethyl)-2-methylbutanamide
CID 114290208
2-(aminomethyl)-2-methyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104759857
4-amino-N-(3-hydroxy-4-methoxybutyl)-3-methoxybutanamide
CID 106247351
3-amino-N-(2-hydroxy-3-methoxypropyl)-2,2-dimethylpropanamide
CID 115426751
2-(aminomethyl)-N-ethyl-2-methylbutanamide
CID 114290216
4-(2-aminoethyl)-N-(3-hydroxy-4-methoxybutyl)-5,5-dimethylhexanamide
CID 106247393
N'-(cyanomethyl)-N-(3-hydroxy-4-methoxybutyl)oxamide
CID 106247858
2-hydroxyethyl N-(3-hydroxy-4-methoxybutyl)carbamate
CID 106248555
(2S)-2-amino-N-(3-hydroxy-4-methoxybutyl)hexanamide
CID 103951121
2-(aminomethyl)-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)butanamide
CID 102904797
N-(3-hydroxy-4-methoxybutyl)pentanamide
CID 103877026
2-amino-N-(2-hydroxy-3-methoxypropyl)-2-methylbutanamide
CID 79811130

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-hydroxy-4-methoxybutyl)-2-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-(3-hydroxy-4-methoxybutyl)-2-methylbutanamide (CID 106247571) is 2-(aminomethyl)-N-(3-hydroxy-4-methoxybutyl)-2-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3-hydroxy-4-methoxybutyl)-2-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-(3-hydroxy-4-methoxybutyl)-2-methylbutanamide is CCC(C)(CN)C(=O)NCCC(O)COC.
What is the InChIKey of 2-(aminomethyl)-N-(3-hydroxy-4-methoxybutyl)-2-methylbutanamide?
The InChIKey is BDKRKLNKYRHTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3/c1-4-11(2,8-12)10(15)13-6-5-9(14)7-16-3/h9,14H,4-8,12H2,1-3H3,(H,13,15).
What are the key properties of 2-(aminomethyl)-N-(3-hydroxy-4-methoxybutyl)-2-methylbutanamide?
2-(aminomethyl)-N-(3-hydroxy-4-methoxybutyl)-2-methylbutanamide has a molecular weight of 232.32 g/mol, XLogP of -0.12, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3-hydroxy-4-methoxybutyl)-2-methylbutanamide is sourced from PubChem (CID 106247571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).