2-amino-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]pentanamide;hydrochloride

C14H29ClN2O3 — CID 119800069

IUPAC2-amino-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]pentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NCCCOCC1CCOC1.Cl
InChIInChI=1S/C14H28N2O3.ClH/c1-3-6-14(2,15)13(17)16-7-4-8-18-10-12-5-9-19-11-12;/h12H,3-11,15H2,1-2H3,(H,16,17);1H
InChIKeyLKEDYKMSHQGJSO-UHFFFAOYSA-N
MW308.85 g/mol
LogP1.49
Rot. Bonds9

About 2-amino-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]pentanamide;hydrochloride

2-amino-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]pentanamide;hydrochloride (PubChem CID 119800069) has the molecular formula C14H29ClN2O3 and a molecular weight of 308.85 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]pentanamide;hydrochloride
PubChem CID119800069
Molecular FormulaC14H29ClN2O3
Molecular Weight308.85 g/mol
Exact Mass308.19
IUPAC Name2-amino-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]pentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NCCCOCC1CCOC1.Cl
InChIInChI=1S/C14H28N2O3.ClH/c1-3-6-14(2,15)13(17)16-7-4-8-18-10-12-5-9-19-11-12;/h12H,3-11,15H2,1-2H3,(H,16,17);1H
InChIKeyLKEDYKMSHQGJSO-UHFFFAOYSA-N
XLogP1.49
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3-ethoxypropyl)-2-methylpentanamide
CID 60848573
3-amino-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]butanamide;hydrochloride
CID 120501461
N-[3-(oxolan-3-ylmethoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119800061
2-amino-2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide
CID 79805275
2-amino-2-methyl-N-[3-(oxolan-3-yloxy)propyl]propanamide;hydrochloride
CID 119340219
2-amino-2-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 79797743
1-ethyl-2-methyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine;hydroiodide
CID 111645237
1-(2-ethoxyethyl)-2-methyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 111645564
2-amino-2-methyl-N-(oxan-3-yl)pentanamide;hydrochloride
CID 119774898
1-(3-methoxypropyl)-2-methyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 111647528
4-(oxolan-3-ylmethoxy)-2-(propylamino)butanamide
CID 55144720
3-amino-N-[3-(oxolan-3-ylmethoxy)propyl]benzamide;hydrochloride
CID 119800059

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]pentanamide;hydrochloride (CID 119800069) is 2-amino-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]pentanamide;hydrochloride is CCCC(C)(N)C(=O)NCCCOCC1CCOC1.Cl.
What is the InChIKey of 2-amino-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]pentanamide;hydrochloride?
The InChIKey is LKEDYKMSHQGJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3.ClH/c1-3-6-14(2,15)13(17)16-7-4-8-18-10-12-5-9-19-11-12;/h12H,3-11,15H2,1-2H3,(H,16,17);1H.
What are the key properties of 2-amino-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]pentanamide;hydrochloride?
2-amino-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]pentanamide;hydrochloride has a molecular weight of 308.85 g/mol, XLogP of 1.49, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]pentanamide;hydrochloride is sourced from PubChem (CID 119800069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).