4-amino-N-[(2-methyloxolan-2-yl)methyl]butanamide;hydrochloride

C10H21ClN2O2 — CID 119322777

IUPAC4-amino-N-[(2-methyloxolan-2-yl)methyl]butanamide;hydrochloride
SMILESCC1(CNC(=O)CCCN)CCCO1.Cl
InChIInChI=1S/C10H20N2O2.ClH/c1-10(5-3-7-14-10)8-12-9(13)4-2-6-11;/h2-8,11H2,1H3,(H,12,13);1H
InChIKeyFXGHOOIYTSMACI-UHFFFAOYSA-N
MW236.74 g/mol
LogP0.83
Rot. Bonds5

About 4-amino-N-[(2-methyloxolan-2-yl)methyl]butanamide;hydrochloride

4-amino-N-[(2-methyloxolan-2-yl)methyl]butanamide;hydrochloride (PubChem CID 119322777) has the molecular formula C10H21ClN2O2 and a molecular weight of 236.74 g/mol. Its IUPAC name is 4-amino-N-[(2-methyloxolan-2-yl)methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[(2-methyloxolan-2-yl)methyl]butanamide;hydrochloride
PubChem CID119322777
Molecular FormulaC10H21ClN2O2
Molecular Weight236.74 g/mol
Exact Mass236.13
IUPAC Name4-amino-N-[(2-methyloxolan-2-yl)methyl]butanamide;hydrochloride
SMILESCC1(CNC(=O)CCCN)CCCO1.Cl
InChIInChI=1S/C10H20N2O2.ClH/c1-10(5-3-7-14-10)8-12-9(13)4-2-6-11;/h2-8,11H2,1H3,(H,12,13);1H
InChIKeyFXGHOOIYTSMACI-UHFFFAOYSA-N
XLogP0.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.74
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclobutyl]-N-[(2-methyloxolan-2-yl)methyl]acetamide
CID 81169258
2-(cyclopropylmethylamino)-N-[(2-methyloxolan-2-yl)methyl]acetamide;hydrochloride
CID 119782237
(2S)-2-amino-3,3-dimethyl-N-[(2-methyloxolan-2-yl)methyl]butanamide;hydrochloride
CID 119782236
2-[2-(aminomethyl)phenyl]-N-[(2-methyloxolan-2-yl)methyl]acetamide
CID 81321967
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-methyloxolan-2-yl)methyl]acetamide;hydrochloride
CID 119782238
4-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]butanamide
CID 119336140
cis-(1R,3S)-2,2-dimethyl-3-[(2-methyloxolan-2-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 114092591
4-amino-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]butanamide;hydrochloride
CID 119339921
1-[(5-aminopentanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115445879
4-amino-N-[(3-methoxyoxolan-3-yl)methyl]butanamide
CID 104761417
4-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]butanamide;hydrochloride
CID 119315672
3,3-dimethyl-1-N-[(2-methyloxolan-2-yl)methyl]butane-1,2-diamine
CID 112556025

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-methyloxolan-2-yl)methyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-N-[(2-methyloxolan-2-yl)methyl]butanamide;hydrochloride (CID 119322777) is 4-amino-N-[(2-methyloxolan-2-yl)methyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[(2-methyloxolan-2-yl)methyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[(2-methyloxolan-2-yl)methyl]butanamide;hydrochloride is CC1(CNC(=O)CCCN)CCCO1.Cl.
What is the InChIKey of 4-amino-N-[(2-methyloxolan-2-yl)methyl]butanamide;hydrochloride?
The InChIKey is FXGHOOIYTSMACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2.ClH/c1-10(5-3-7-14-10)8-12-9(13)4-2-6-11;/h2-8,11H2,1H3,(H,12,13);1H.
What are the key properties of 4-amino-N-[(2-methyloxolan-2-yl)methyl]butanamide;hydrochloride?
4-amino-N-[(2-methyloxolan-2-yl)methyl]butanamide;hydrochloride has a molecular weight of 236.74 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-methyloxolan-2-yl)methyl]butanamide;hydrochloride is sourced from PubChem (CID 119322777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).