4-(aminomethyl)-N-(3-ethyl-2-hydroxypentyl)oxane-4-carboxamide;hydrochloride

C14H29ClN2O3 — CID 120932439

IUPAC4-(aminomethyl)-N-(3-ethyl-2-hydroxypentyl)oxane-4-carboxamide;hydrochloride
SMILESCCC(CC)C(O)CNC(=O)C1(CN)CCOCC1.Cl
InChIInChI=1S/C14H28N2O3.ClH/c1-3-11(4-2)12(17)9-16-13(18)14(10-15)5-7-19-8-6-14;/h11-12,17H,3-10,15H2,1-2H3,(H,16,18);1H
InChIKeyCHOXHHNTBGMNGN-UHFFFAOYSA-N
MW308.85 g/mol
LogP1.08
Rot. Bonds7

About 4-(aminomethyl)-N-(3-ethyl-2-hydroxypentyl)oxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N-(3-ethyl-2-hydroxypentyl)oxane-4-carboxamide;hydrochloride (PubChem CID 120932439) has the molecular formula C14H29ClN2O3 and a molecular weight of 308.85 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3-ethyl-2-hydroxypentyl)oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3-ethyl-2-hydroxypentyl)oxane-4-carboxamide;hydrochloride
PubChem CID120932439
Molecular FormulaC14H29ClN2O3
Molecular Weight308.85 g/mol
Exact Mass308.19
IUPAC Name4-(aminomethyl)-N-(3-ethyl-2-hydroxypentyl)oxane-4-carboxamide;hydrochloride
SMILESCCC(CC)C(O)CNC(=O)C1(CN)CCOCC1.Cl
InChIInChI=1S/C14H28N2O3.ClH/c1-3-11(4-2)12(17)9-16-13(18)14(10-15)5-7-19-8-6-14;/h11-12,17H,3-10,15H2,1-2H3,(H,16,18);1H
InChIKeyCHOXHHNTBGMNGN-UHFFFAOYSA-N
XLogP1.08
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(2-morpholin-4-ylpropyl)oxane-4-carboxamide;dihydrochloride
CID 120939123
4-(aminomethyl)-N-hexan-3-yloxane-4-carboxamide
CID 62117621
4-(aminomethyl)-N-(1-hydroxybutan-2-yl)oxane-4-carboxamide
CID 115438973
methyl 2-[[4-(aminomethyl)oxane-4-carbonyl]amino]butanoate;hydrochloride
CID 120922194
4-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120936241
4-(aminomethyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120932524
N-[(2S)-3-ethyl-2-hydroxypentyl]-1-propylcyclobutane-1-carboxamide
CID 96541675
4-(aminomethyl)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxane-4-carboxamide
CID 120937401
4-(aminomethyl)-N-[2-(2,2-dimethylpropanoylamino)ethyl]oxane-4-carboxamide;hydrochloride
CID 120929562
(2S)-4-[[4-(aminomethyl)oxane-4-carbonyl]amino]-2-hydroxybutanoic acid
CID 107836511
4-(aminomethyl)oxane-4-carbohydrazide
CID 115439594
1-(aminomethyl)-N-(2-hydroxypentyl)cyclopentane-1-carboxamide
CID 115739396

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3-ethyl-2-hydroxypentyl)oxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-(3-ethyl-2-hydroxypentyl)oxane-4-carboxamide;hydrochloride (CID 120932439) is 4-(aminomethyl)-N-(3-ethyl-2-hydroxypentyl)oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-(3-ethyl-2-hydroxypentyl)oxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-(3-ethyl-2-hydroxypentyl)oxane-4-carboxamide;hydrochloride is CCC(CC)C(O)CNC(=O)C1(CN)CCOCC1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-(3-ethyl-2-hydroxypentyl)oxane-4-carboxamide;hydrochloride?
The InChIKey is CHOXHHNTBGMNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3.ClH/c1-3-11(4-2)12(17)9-16-13(18)14(10-15)5-7-19-8-6-14;/h11-12,17H,3-10,15H2,1-2H3,(H,16,18);1H.
What are the key properties of 4-(aminomethyl)-N-(3-ethyl-2-hydroxypentyl)oxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-(3-ethyl-2-hydroxypentyl)oxane-4-carboxamide;hydrochloride has a molecular weight of 308.85 g/mol, XLogP of 1.08, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3-ethyl-2-hydroxypentyl)oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120932439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).