2-(aminomethyl)-N-ethyl-2-methylbutanamide

C8H18N2O — CID 114290216

IUPAC2-(aminomethyl)-N-ethyl-2-methylbutanamide
SMILESCCNC(=O)C(C)(CC)CN
InChIInChI=1S/C8H18N2O/c1-4-8(3,6-9)7(11)10-5-2/h4-6,9H2,1-3H3,(H,10,11)
InChIKeyPYHZKNMPDXAWAW-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.50
Rot. Bonds4

About 2-(aminomethyl)-N-ethyl-2-methylbutanamide

2-(aminomethyl)-N-ethyl-2-methylbutanamide (PubChem CID 114290216) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-(aminomethyl)-N-ethyl-2-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-ethyl-2-methylbutanamide
PubChem CID114290216
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name2-(aminomethyl)-N-ethyl-2-methylbutanamide
SMILESCCNC(=O)C(C)(CC)CN
InChIInChI=1S/C8H18N2O/c1-4-8(3,6-9)7(11)10-5-2/h4-6,9H2,1-3H3,(H,10,11)
InChIKeyPYHZKNMPDXAWAW-UHFFFAOYSA-N
XLogP0.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 114290297
2-(aminomethyl)-N,2-dimethylbutanamide
CID 114290214
2-(aminomethyl)-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)butanamide
CID 102904797
2-(aminomethyl)-N-(2-methoxyethyl)-2-methylbutanamide
CID 114290208
2-(aminomethyl)-N-(2-ethoxy-2-methylpropyl)-2-methylbutanamide
CID 114941575
(2R)-3-amino-N-ethyl-2-hydroxy-2-methylpropanamide
CID 146609938
2-(aminomethyl)-2-methyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104759857
2-(aminomethyl)-N-[(2-ethylphenyl)methyl]-2-methylbutanamide
CID 114290774
2-(aminomethyl)-2-methyl-N-(2H-tetrazol-5-ylmethyl)butanamide
CID 114290570
2-(aminomethyl)-2-methyl-N-(2-prop-2-ynylsulfanylethyl)butanamide
CID 106427791
N-(3-aminopropyl)-2-ethyl-2-methylbutanamide
CID 88552246
2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methylbutanamide
CID 114290664

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-ethyl-2-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-ethyl-2-methylbutanamide (CID 114290216) is 2-(aminomethyl)-N-ethyl-2-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-ethyl-2-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-ethyl-2-methylbutanamide is CCNC(=O)C(C)(CC)CN.
What is the InChIKey of 2-(aminomethyl)-N-ethyl-2-methylbutanamide?
The InChIKey is PYHZKNMPDXAWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-4-8(3,6-9)7(11)10-5-2/h4-6,9H2,1-3H3,(H,10,11).
What are the key properties of 2-(aminomethyl)-N-ethyl-2-methylbutanamide?
2-(aminomethyl)-N-ethyl-2-methylbutanamide has a molecular weight of 158.24 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-ethyl-2-methylbutanamide is sourced from PubChem (CID 114290216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).