2-amino-N-(2-methoxy-3,3-dimethylbutyl)pentanamide;hydrochloride

C12H27ClN2O2 — CID 119341481

IUPAC2-amino-N-(2-methoxy-3,3-dimethylbutyl)pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NCC(OC)C(C)(C)C.Cl
InChIInChI=1S/C12H26N2O2.ClH/c1-6-7-9(13)11(15)14-8-10(16-5)12(2,3)4;/h9-10H,6-8,13H2,1-5H3,(H,14,15);1H
InChIKeyPDJUFTSMJOLHIP-UHFFFAOYSA-N
MW266.81 g/mol
LogP1.71
Rot. Bonds6

About 2-amino-N-(2-methoxy-3,3-dimethylbutyl)pentanamide;hydrochloride

2-amino-N-(2-methoxy-3,3-dimethylbutyl)pentanamide;hydrochloride (PubChem CID 119341481) has the molecular formula C12H27ClN2O2 and a molecular weight of 266.81 g/mol. Its IUPAC name is 2-amino-N-(2-methoxy-3,3-dimethylbutyl)pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(2-methoxy-3,3-dimethylbutyl)pentanamide;hydrochloride
PubChem CID119341481
Molecular FormulaC12H27ClN2O2
Molecular Weight266.81 g/mol
Exact Mass266.18
IUPAC Name2-amino-N-(2-methoxy-3,3-dimethylbutyl)pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NCC(OC)C(C)(C)C.Cl
InChIInChI=1S/C12H26N2O2.ClH/c1-6-7-9(13)11(15)14-8-10(16-5)12(2,3)4;/h9-10H,6-8,13H2,1-5H3,(H,14,15);1H
InChIKeyPDJUFTSMJOLHIP-UHFFFAOYSA-N
XLogP1.71
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

2-amino-N-(2,2-dimethoxyethyl)pentanamide
CID 61274915
3-amino-N-(2-methoxy-3,3-dimethylbutyl)-2-methylbutanamide;hydrochloride
CID 120502078
3-[[(2R)-2-aminopentanoyl]amino]-2-methoxypropanoic acid
CID 106108985
(2S)-2-amino-N-(2-hydroxy-3-methoxypropyl)pentanamide
CID 107569812
2-amino-N-propylpentanamide
CID 43649977
2-amino-N-(3,3-dimethylbutyl)pentanamide
CID 112687728
ethyl 2-[[(2S)-2-aminopentanoyl]amino]acetate
CID 107568770
4-amino-N-(2-methoxy-3,3-dimethylbutyl)butanamide;hydrochloride
CID 119341487
2-amino-N-(2-methoxy-2-phenylethyl)pentanamide
CID 119278905
(2S)-2-amino-N-(4-hydroxy-2-methylbutyl)pentanamide
CID 107569995
(2R)-2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]pentanamide
CID 103813226
(2S)-2-amino-N-(2-hydroxyethyl)pentanamide
CID 89064333

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methoxy-3,3-dimethylbutyl)pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-(2-methoxy-3,3-dimethylbutyl)pentanamide;hydrochloride (CID 119341481) is 2-amino-N-(2-methoxy-3,3-dimethylbutyl)pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(2-methoxy-3,3-dimethylbutyl)pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(2-methoxy-3,3-dimethylbutyl)pentanamide;hydrochloride is CCCC(N)C(=O)NCC(OC)C(C)(C)C.Cl.
What is the InChIKey of 2-amino-N-(2-methoxy-3,3-dimethylbutyl)pentanamide;hydrochloride?
The InChIKey is PDJUFTSMJOLHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2.ClH/c1-6-7-9(13)11(15)14-8-10(16-5)12(2,3)4;/h9-10H,6-8,13H2,1-5H3,(H,14,15);1H.
What are the key properties of 2-amino-N-(2-methoxy-3,3-dimethylbutyl)pentanamide;hydrochloride?
2-amino-N-(2-methoxy-3,3-dimethylbutyl)pentanamide;hydrochloride has a molecular weight of 266.81 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methoxy-3,3-dimethylbutyl)pentanamide;hydrochloride is sourced from PubChem (CID 119341481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).