2-(aminomethyl)-N-ethyl-N-(3-hydroxypropyl)-4,4-dimethylpentanamide

C13H28N2O2 — CID 107472719

IUPAC2-(aminomethyl)-N-ethyl-N-(3-hydroxypropyl)-4,4-dimethylpentanamide
SMILESCCN(CCCO)C(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-5-15(7-6-8-16)12(17)11(10-14)9-13(2,3)4/h11,16H,5-10,14H2,1-4H3
InChIKeyXTEJRWVBGUCYRQ-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.23
Rot. Bonds7

About 2-(aminomethyl)-N-ethyl-N-(3-hydroxypropyl)-4,4-dimethylpentanamide

2-(aminomethyl)-N-ethyl-N-(3-hydroxypropyl)-4,4-dimethylpentanamide (PubChem CID 107472719) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-(aminomethyl)-N-ethyl-N-(3-hydroxypropyl)-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-ethyl-N-(3-hydroxypropyl)-4,4-dimethylpentanamide
PubChem CID107472719
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name2-(aminomethyl)-N-ethyl-N-(3-hydroxypropyl)-4,4-dimethylpentanamide
SMILESCCN(CCCO)C(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-5-15(7-6-8-16)12(17)11(10-14)9-13(2,3)4/h11,16H,5-10,14H2,1-4H3
InChIKeyXTEJRWVBGUCYRQ-UHFFFAOYSA-N
XLogP1.23
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N,N-dibutyl-4,4-dimethylpentanamide
CID 107471112
(2R)-2-amino-N-ethyl-N-(3-hydroxypropyl)-3,3-dimethylbutanamide
CID 104861744
2-(aminomethyl)-N-butyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 107471569
2-(aminomethyl)-N-(2-hydroxyethyl)-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 107471673
2-(aminomethyl)-N-butyl-N,4,4-trimethylpentanamide
CID 107470989
2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-N-(2-methylpropyl)pentanamide
CID 107471656
2-(aminomethyl)-N-benzyl-N-ethyl-4,4-dimethylpentanamide
CID 107471113
2-(aminomethyl)-N,N-bis(2-cyanoethyl)-4,4-dimethylpentanamide
CID 107471659
N-ethyl-N-(3-hydroxypropyl)-2-methylbutanamide
CID 115771825
N-(3-aminopropyl)-N-ethyl-2-propylpentanamide
CID 82984398
N-ethyl-N-(3-hydroxypropyl)-3,4,4-trimethylpentanamide
CID 115771733
2-(aminomethyl)-N-[3-(diethylamino)propyl]-4,4-dimethylpentanamide
CID 107471013

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-ethyl-N-(3-hydroxypropyl)-4,4-dimethylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-ethyl-N-(3-hydroxypropyl)-4,4-dimethylpentanamide (CID 107472719) is 2-(aminomethyl)-N-ethyl-N-(3-hydroxypropyl)-4,4-dimethylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-ethyl-N-(3-hydroxypropyl)-4,4-dimethylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-ethyl-N-(3-hydroxypropyl)-4,4-dimethylpentanamide is CCN(CCCO)C(=O)C(CN)CC(C)(C)C.
What is the InChIKey of 2-(aminomethyl)-N-ethyl-N-(3-hydroxypropyl)-4,4-dimethylpentanamide?
The InChIKey is XTEJRWVBGUCYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-5-15(7-6-8-16)12(17)11(10-14)9-13(2,3)4/h11,16H,5-10,14H2,1-4H3.
What are the key properties of 2-(aminomethyl)-N-ethyl-N-(3-hydroxypropyl)-4,4-dimethylpentanamide?
2-(aminomethyl)-N-ethyl-N-(3-hydroxypropyl)-4,4-dimethylpentanamide has a molecular weight of 244.38 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-ethyl-N-(3-hydroxypropyl)-4,4-dimethylpentanamide is sourced from PubChem (CID 107472719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).