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

C12H27ClN2O2 — CID 119677886

IUPAC2-amino-3-methyl-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCCCOC(C)C.Cl
InChIInChI=1S/C12H26N2O2.ClH/c1-5-10(4)11(13)12(15)14-7-6-8-16-9(2)3;/h9-11H,5-8,13H2,1-4H3,(H,14,15);1H
InChIKeyPQSSPBYXJUQBRU-UHFFFAOYSA-N
MW266.81 g/mol
LogP1.71
Rot. Bonds8

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

2-amino-3-methyl-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride (PubChem CID 119677886) has the molecular formula C12H27ClN2O2 and a molecular weight of 266.81 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methyl-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride
PubChem CID119677886
Molecular FormulaC12H27ClN2O2
Molecular Weight266.81 g/mol
Exact Mass266.18
IUPAC Name2-amino-3-methyl-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCCCOC(C)C.Cl
InChIInChI=1S/C12H26N2O2.ClH/c1-5-10(4)11(13)12(15)14-7-6-8-16-9(2)3;/h9-11H,5-8,13H2,1-4H3,(H,14,15);1H
InChIKeyPQSSPBYXJUQBRU-UHFFFAOYSA-N
XLogP1.71
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.81
LogP ≤ 51.71
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

(2S)-2-amino-3-methyl-N-(4-propan-2-yloxybutyl)pentanamide
CID 114137059
(2R)-2-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide
CID 79012909
(2S)-2-amino-3-methyl-N-pentylpentanamide
CID 22690936
(2S,3S)-2-amino-3-methyl-N-[3-(2-methylpropoxy)propyl]pentanamide
CID 61155526
(2R)-2-amino-3-methyl-N-(4-propan-2-yloxybutyl)butanamide
CID 106011533
(2S)-2-amino-N-(4-hydroxybutyl)-3-methylpentanamide
CID 87554780
(2S)-2-amino-3-methyl-N-octadecylpentanamide
CID 58604652
2-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylpentanamide
CID 43515321
(2S)-2-amino-4-methyl-N-(3-propan-2-yloxypropyl)pentanamide
CID 61275418
(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974
2-amino-3-methyl-N-(3-methylsulfinylpropyl)pentanamide
CID 115739288
7-[[(2S)-2-amino-3-methylpentanoyl]amino]heptanoic acid
CID 61172355

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride?
The IUPAC name of 2-amino-3-methyl-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride (CID 119677886) is 2-amino-3-methyl-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methyl-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methyl-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride is CCC(C)C(N)C(=O)NCCCOC(C)C.Cl.
What is the InChIKey of 2-amino-3-methyl-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride?
The InChIKey is PQSSPBYXJUQBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2.ClH/c1-5-10(4)11(13)12(15)14-7-6-8-16-9(2)3;/h9-11H,5-8,13H2,1-4H3,(H,14,15);1H.
What are the key properties of 2-amino-3-methyl-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride?
2-amino-3-methyl-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride has a molecular weight of 266.81 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride is sourced from PubChem (CID 119677886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).