4-amino-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride

C11H25ClN2O2 — CID 120558859

IUPAC4-amino-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride
SMILESCC(N)CCC(=O)NCCCOC(C)C.Cl
InChIInChI=1S/C11H24N2O2.ClH/c1-9(2)15-8-4-7-13-11(14)6-5-10(3)12;/h9-10H,4-8,12H2,1-3H3,(H,13,14);1H
InChIKeyMVSOQXNWNHZDDY-UHFFFAOYSA-N
MW252.79 g/mol
LogP1.47
Rot. Bonds8

About 4-amino-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride

4-amino-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride (PubChem CID 120558859) has the molecular formula C11H25ClN2O2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 4-amino-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride
PubChem CID120558859
Molecular FormulaC11H25ClN2O2
Molecular Weight252.79 g/mol
Exact Mass252.16
IUPAC Name4-amino-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride
SMILESCC(N)CCC(=O)NCCCOC(C)C.Cl
InChIInChI=1S/C11H24N2O2.ClH/c1-9(2)15-8-4-7-13-11(14)6-5-10(3)12;/h9-10H,4-8,12H2,1-3H3,(H,13,14);1H
InChIKeyMVSOQXNWNHZDDY-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 52
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-ethoxypropyl)pentanamide;hydrochloride
CID 120558779
N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)butanediamide
CID 5167473
4-amino-N-(3-propoxypropyl)pentanamide
CID 82942655
8-methyl-N-(3-propan-2-yloxypropyl)nonanamide
CID 147959666
7-amino-N-(3-propan-2-yloxypropyl)heptanamide
CID 61275030
N-heptyl-N'-(3-propan-2-yloxypropyl)butanediamide
CID 4554473
4-amino-N-(3-phenoxypropyl)pentanamide;hydrochloride
CID 120559424
5,5-dimethyl-N-(3-propan-2-yloxypropyl)hexanamide
CID 156551412
(2R)-2-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide
CID 79012909
2-amino-3-methyl-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride
CID 119677886
N-[4-(methylamino)butyl]-4-propan-2-yloxybutanamide
CID 162749933
2-ethoxy-N-(3-propan-2-yloxypropyl)acetamide
CID 60638133

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride (CID 120558859) is 4-amino-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride is CC(N)CCC(=O)NCCCOC(C)C.Cl.
What is the InChIKey of 4-amino-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride?
The InChIKey is MVSOQXNWNHZDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2.ClH/c1-9(2)15-8-4-7-13-11(14)6-5-10(3)12;/h9-10H,4-8,12H2,1-3H3,(H,13,14);1H.
What are the key properties of 4-amino-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride?
4-amino-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride has a molecular weight of 252.79 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride is sourced from PubChem (CID 120558859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).