4-(aminomethyl)-N,N-bis(2-methoxyethyl)oxane-4-carboxamide;hydrochloride

C13H27ClN2O4 — CID 120917290

IUPAC4-(aminomethyl)-N,N-bis(2-methoxyethyl)oxane-4-carboxamide;hydrochloride
SMILESCOCCN(CCOC)C(=O)C1(CN)CCOCC1.Cl
InChIInChI=1S/C13H26N2O4.ClH/c1-17-9-5-15(6-10-18-2)12(16)13(11-14)3-7-19-8-4-13;/h3-11,14H2,1-2H3;1H
InChIKeyBHKIDCXWYAUCPQ-UHFFFAOYSA-N
MW310.82 g/mol
LogP0.29
Rot. Bonds8

About 4-(aminomethyl)-N,N-bis(2-methoxyethyl)oxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N,N-bis(2-methoxyethyl)oxane-4-carboxamide;hydrochloride (PubChem CID 120917290) has the molecular formula C13H27ClN2O4 and a molecular weight of 310.82 g/mol. Its IUPAC name is 4-(aminomethyl)-N,N-bis(2-methoxyethyl)oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N,N-bis(2-methoxyethyl)oxane-4-carboxamide;hydrochloride
PubChem CID120917290
Molecular FormulaC13H27ClN2O4
Molecular Weight310.82 g/mol
Exact Mass310.17
IUPAC Name4-(aminomethyl)-N,N-bis(2-methoxyethyl)oxane-4-carboxamide;hydrochloride
SMILESCOCCN(CCOC)C(=O)C1(CN)CCOCC1.Cl
InChIInChI=1S/C13H26N2O4.ClH/c1-17-9-5-15(6-10-18-2)12(16)13(11-14)3-7-19-8-4-13;/h3-11,14H2,1-2H3;1H
InChIKeyBHKIDCXWYAUCPQ-UHFFFAOYSA-N
XLogP0.29
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,N-bis(2-methoxyethyl)oxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N,N-bis(2-methoxyethyl)oxane-4-carboxamide;hydrochloride (CID 120917290) is 4-(aminomethyl)-N,N-bis(2-methoxyethyl)oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N,N-bis(2-methoxyethyl)oxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N,N-bis(2-methoxyethyl)oxane-4-carboxamide;hydrochloride is COCCN(CCOC)C(=O)C1(CN)CCOCC1.Cl.
What is the InChIKey of 4-(aminomethyl)-N,N-bis(2-methoxyethyl)oxane-4-carboxamide;hydrochloride?
The InChIKey is BHKIDCXWYAUCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4.ClH/c1-17-9-5-15(6-10-18-2)12(16)13(11-14)3-7-19-8-4-13;/h3-11,14H2,1-2H3;1H.
What are the key properties of 4-(aminomethyl)-N,N-bis(2-methoxyethyl)oxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N,N-bis(2-methoxyethyl)oxane-4-carboxamide;hydrochloride has a molecular weight of 310.82 g/mol, XLogP of 0.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,N-bis(2-methoxyethyl)oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120917290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).