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

C14H27ClN2O3 — CID 120927937

IUPAC4-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide;hydrochloride
SMILESCCN(CC1CCCO1)C(=O)C1(CN)CCOCC1.Cl
InChIInChI=1S/C14H26N2O3.ClH/c1-2-16(10-12-4-3-7-19-12)13(17)14(11-15)5-8-18-9-6-14;/h12H,2-11,15H2,1H3;1H
InChIKeyFWYWPCYDKODNKE-UHFFFAOYSA-N
MW306.83 g/mol
LogP1.19
Rot. Bonds5

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

4-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide;hydrochloride (PubChem CID 120927937) has the molecular formula C14H27ClN2O3 and a molecular weight of 306.83 g/mol. Its IUPAC name is 4-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide;hydrochloride
PubChem CID120927937
Molecular FormulaC14H27ClN2O3
Molecular Weight306.83 g/mol
Exact Mass306.17
IUPAC Name4-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide;hydrochloride
SMILESCCN(CC1CCCO1)C(=O)C1(CN)CCOCC1.Cl
InChIInChI=1S/C14H26N2O3.ClH/c1-2-16(10-12-4-3-7-19-12)13(17)14(11-15)5-8-18-9-6-14;/h12H,2-11,15H2,1H3;1H
InChIKeyFWYWPCYDKODNKE-UHFFFAOYSA-N
XLogP1.19
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.83
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119750528
4-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide;hydrochloride
CID 120922145
4-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyloxane-4-carboxamide;hydrochloride
CID 120932569
4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyloxane-4-carboxamide
CID 107397896
4-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyloxane-4-carboxamide
CID 63956780
1-carbamothioyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclobutane-1-carboxamide
CID 80590245
1-carbamothioyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide
CID 55037680
oxolan-2-ylmethyl 4-(aminomethyl)oxane-4-carboxylate
CID 113310259
1-cyano-N-ethyl-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
CID 80598016
N-ethyl-N-(oxolan-2-ylmethyl)-3-propylpyrrolidine-3-carboxamide
CID 63141891
2-(1-aminocyclobutyl)-N-ethyl-N-(oxolan-2-ylmethyl)acetamide
CID 79854728
1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylcycloheptane-1-carboxamide
CID 63956979

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide;hydrochloride (CID 120927937) is 4-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide;hydrochloride is CCN(CC1CCCO1)C(=O)C1(CN)CCOCC1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide;hydrochloride?
The InChIKey is FWYWPCYDKODNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3.ClH/c1-2-16(10-12-4-3-7-19-12)13(17)14(11-15)5-8-18-9-6-14;/h12H,2-11,15H2,1H3;1H.
What are the key properties of 4-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide;hydrochloride has a molecular weight of 306.83 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120927937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).