4-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide;hydrochloride

C13H25ClN2O3 — CID 120922145

IUPAC4-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide;hydrochloride
SMILESCN(CC1CCCO1)C(=O)C1(CN)CCOCC1.Cl
InChIInChI=1S/C13H24N2O3.ClH/c1-15(9-11-3-2-6-18-11)12(16)13(10-14)4-7-17-8-5-13;/h11H,2-10,14H2,1H3;1H
InChIKeyDRDLAIYPFRCNRL-UHFFFAOYSA-N
MW292.81 g/mol
LogP0.80
Rot. Bonds4

About 4-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide;hydrochloride (PubChem CID 120922145) has the molecular formula C13H25ClN2O3 and a molecular weight of 292.81 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide;hydrochloride
PubChem CID120922145
Molecular FormulaC13H25ClN2O3
Molecular Weight292.81 g/mol
Exact Mass292.16
IUPAC Name4-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide;hydrochloride
SMILESCN(CC1CCCO1)C(=O)C1(CN)CCOCC1.Cl
InChIInChI=1S/C13H24N2O3.ClH/c1-15(9-11-3-2-6-18-11)12(16)13(10-14)4-7-17-8-5-13;/h11H,2-10,14H2,1H3;1H
InChIKeyDRDLAIYPFRCNRL-UHFFFAOYSA-N
XLogP0.80
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide;hydrochloride
CID 120927937
4-amino-N-methyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide
CID 115294696
1-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119750528
oxolan-2-ylmethyl 4-(aminomethyl)oxane-4-carboxylate
CID 113310259
1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cycloheptane-1-carboxamide
CID 63713295
N,4-dimethyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 63122472
methyl(oxolan-2-ylmethyl)carbamic acid
CID 90935828
1-(aminomethyl)-N-(cyclopentylmethyl)-N-methylcyclopropane-1-carboxamide
CID 80598771
N-methyl-N-(oxan-2-ylmethyl)-4-propylpiperidine-4-carboxamide
CID 63129141
4-(methoxymethyl)-N-methyl-N-(oxan-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 120625217
4-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)-N-methyloxane-4-carboxamide
CID 79390007
N-methyl-N-(oxolan-2-ylmethyl)carbamoyl chloride
CID 79887071

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide;hydrochloride (CID 120922145) is 4-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide;hydrochloride is CN(CC1CCCO1)C(=O)C1(CN)CCOCC1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide;hydrochloride?
The InChIKey is DRDLAIYPFRCNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3.ClH/c1-15(9-11-3-2-6-18-11)12(16)13(10-14)4-7-17-8-5-13;/h11H,2-10,14H2,1H3;1H.
What are the key properties of 4-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide;hydrochloride has a molecular weight of 292.81 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120922145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).