N-(3-aminopropyl)-3-hydroxy-2-methylpropanamide

C7H16N2O2 — CID 168915503

IUPACN-(3-aminopropyl)-3-hydroxy-2-methylpropanamide
SMILESCC(CO)C(=O)NCCCN
InChIInChI=1S/C7H16N2O2/c1-6(5-10)7(11)9-4-2-3-8/h6,10H,2-5,8H2,1H3,(H,9,11)
InChIKeyGBTNVCHJDWFLFW-UHFFFAOYSA-N
MW160.22 g/mol
LogP-0.92
Rot. Bonds5

About N-(3-aminopropyl)-3-hydroxy-2-methylpropanamide

N-(3-aminopropyl)-3-hydroxy-2-methylpropanamide (PubChem CID 168915503) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-hydroxy-2-methylpropanamide
PubChem CID168915503
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC NameN-(3-aminopropyl)-3-hydroxy-2-methylpropanamide
SMILESCC(CO)C(=O)NCCCN
InChIInChI=1S/C7H16N2O2/c1-6(5-10)7(11)9-4-2-3-8/h6,10H,2-5,8H2,1H3,(H,9,11)
InChIKeyGBTNVCHJDWFLFW-UHFFFAOYSA-N
XLogP-0.92
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(3-aminopropyl)-2-methylbutanamide
CID 80543775
N-(3-aminopropyl)-2-methylpropanamide;hydrochloride
CID 71757297
N-[3-[3-(3-aminopropylamino)propylamino]propyl]-2-methylpropanamide
CID 154594320
4-(3-aminopropylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 56942187
2-(aminomethyl)-N-(3-aminopropyl)-3-methylbutanamide
CID 65229477
(2S)-N-(5-aminopentyl)-3-methoxy-2-methylpropanamide
CID 170069625
5-amino-2-methyl-N-pentylpentanamide
CID 104683456
3-hydroxy-2-methyl-N-(5-methylheptyl)propanamide
CID 166773435
N-(7-aminoheptyl)-2-methylpropanamide
CID 89281092
N-(3-aminopropyl)-3-cyclohexyl-2-methylpropanamide
CID 119407411
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-methylpropanamide
CID 154982765
N-(3-aminopropyl)-2,3,4,5,6-pentahydroxyhexanamide
CID 23193776

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-hydroxy-2-methylpropanamide?
The IUPAC name of N-(3-aminopropyl)-3-hydroxy-2-methylpropanamide (CID 168915503) is N-(3-aminopropyl)-3-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-(3-aminopropyl)-3-hydroxy-2-methylpropanamide?
The canonical SMILES for N-(3-aminopropyl)-3-hydroxy-2-methylpropanamide is CC(CO)C(=O)NCCCN.
What is the InChIKey of N-(3-aminopropyl)-3-hydroxy-2-methylpropanamide?
The InChIKey is GBTNVCHJDWFLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-6(5-10)7(11)9-4-2-3-8/h6,10H,2-5,8H2,1H3,(H,9,11).
What are the key properties of N-(3-aminopropyl)-3-hydroxy-2-methylpropanamide?
N-(3-aminopropyl)-3-hydroxy-2-methylpropanamide has a molecular weight of 160.22 g/mol, XLogP of -0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-hydroxy-2-methylpropanamide is sourced from PubChem (CID 168915503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).