N-(3-aminopropyl)-2-(3-methylbutoxy)propanamide;hydrochloride

C11H25ClN2O2 — CID 119407306

IUPACN-(3-aminopropyl)-2-(3-methylbutoxy)propanamide;hydrochloride
SMILESCC(C)CCOC(C)C(=O)NCCCN.Cl
InChIInChI=1S/C11H24N2O2.ClH/c1-9(2)5-8-15-10(3)11(14)13-7-4-6-12;/h9-10H,4-8,12H2,1-3H3,(H,13,14);1H
InChIKeyMYBJXKIDSCGEMT-UHFFFAOYSA-N
MW252.79 g/mol
LogP1.32
Rot. Bonds8

About N-(3-aminopropyl)-2-(3-methylbutoxy)propanamide;hydrochloride

N-(3-aminopropyl)-2-(3-methylbutoxy)propanamide;hydrochloride (PubChem CID 119407306) has the molecular formula C11H25ClN2O2 and a molecular weight of 252.79 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(3-methylbutoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(3-methylbutoxy)propanamide;hydrochloride
PubChem CID119407306
Molecular FormulaC11H25ClN2O2
Molecular Weight252.79 g/mol
Exact Mass252.16
IUPAC NameN-(3-aminopropyl)-2-(3-methylbutoxy)propanamide;hydrochloride
SMILESCC(C)CCOC(C)C(=O)NCCCN.Cl
InChIInChI=1S/C11H24N2O2.ClH/c1-9(2)5-8-15-10(3)11(14)13-7-4-6-12;/h9-10H,4-8,12H2,1-3H3,(H,13,14);1H
InChIKeyMYBJXKIDSCGEMT-UHFFFAOYSA-N
XLogP1.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-aminopropyl)-2-(3-methylbutoxy)propanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-aminopropyl)-2-(2-ethoxyethoxy)propanamide
CID 119407373
N-[2-(ethylamino)ethyl]-2-(3-methylbutoxy)propanamide;hydrochloride
CID 119507501
N-(1-amino-2-methylpropan-2-yl)-2-(3-methylbutoxy)propanamide;hydrochloride
CID 119523589
N-(3-aminopropyl)-2-methylpropanamide;hydrochloride
CID 71757297
2-(3-methylbutoxy)-N-(3-piperazin-1-ylpropyl)propanamide
CID 119392976
2-(3-aminopropoxy)-N-prop-2-ynylpropanamide
CID 62343650
N-(3-aminopropyl)-3-methylbutanamide
CID 23588483
4-amino-N-(3-aminopropyl)-2-methylbutanamide
CID 80543775
4-(3-aminopropylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 56942187
2-(aminomethyl)-N-(3-aminopropyl)-3-methylbutanamide
CID 65229477
N-(2-aminoethyl)-2-[2-(3-methylbutoxy)propanoylamino]benzamide
CID 120604319
N-(3-aminopropyl)-2-(4-methylphenoxy)propanamide;hydrochloride
CID 119407044

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(3-methylbutoxy)propanamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-2-(3-methylbutoxy)propanamide;hydrochloride (CID 119407306) is N-(3-aminopropyl)-2-(3-methylbutoxy)propanamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-2-(3-methylbutoxy)propanamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-2-(3-methylbutoxy)propanamide;hydrochloride is CC(C)CCOC(C)C(=O)NCCCN.Cl.
What is the InChIKey of N-(3-aminopropyl)-2-(3-methylbutoxy)propanamide;hydrochloride?
The InChIKey is MYBJXKIDSCGEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2.ClH/c1-9(2)5-8-15-10(3)11(14)13-7-4-6-12;/h9-10H,4-8,12H2,1-3H3,(H,13,14);1H.
What are the key properties of N-(3-aminopropyl)-2-(3-methylbutoxy)propanamide;hydrochloride?
N-(3-aminopropyl)-2-(3-methylbutoxy)propanamide;hydrochloride has a molecular weight of 252.79 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(3-methylbutoxy)propanamide;hydrochloride is sourced from PubChem (CID 119407306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).