4-(aminomethyl)-N-(2-morpholin-4-ylpropyl)oxane-4-carboxamide;dihydrochloride

C14H29Cl2N3O3 — CID 120939123

IUPAC4-(aminomethyl)-N-(2-morpholin-4-ylpropyl)oxane-4-carboxamide;dihydrochloride
SMILESCC(CNC(=O)C1(CN)CCOCC1)N1CCOCC1.Cl.Cl
InChIInChI=1S/C14H27N3O3.2ClH/c1-12(17-4-8-20-9-5-17)10-16-13(18)14(11-15)2-6-19-7-3-14;;/h12H,2-11,15H2,1H3,(H,16,18);2*1H
InChIKeyHMNPQRYSVHYTAY-UHFFFAOYSA-N
MW358.31 g/mol
LogP0.42
Rot. Bonds5

About 4-(aminomethyl)-N-(2-morpholin-4-ylpropyl)oxane-4-carboxamide;dihydrochloride

4-(aminomethyl)-N-(2-morpholin-4-ylpropyl)oxane-4-carboxamide;dihydrochloride (PubChem CID 120939123) has the molecular formula C14H29Cl2N3O3 and a molecular weight of 358.31 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-morpholin-4-ylpropyl)oxane-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-morpholin-4-ylpropyl)oxane-4-carboxamide;dihydrochloride
PubChem CID120939123
Molecular FormulaC14H29Cl2N3O3
Molecular Weight358.31 g/mol
Exact Mass357.16
IUPAC Name4-(aminomethyl)-N-(2-morpholin-4-ylpropyl)oxane-4-carboxamide;dihydrochloride
SMILESCC(CNC(=O)C1(CN)CCOCC1)N1CCOCC1.Cl.Cl
InChIInChI=1S/C14H27N3O3.2ClH/c1-12(17-4-8-20-9-5-17)10-16-13(18)14(11-15)2-6-19-7-3-14;;/h12H,2-11,15H2,1H3,(H,16,18);2*1H
InChIKeyHMNPQRYSVHYTAY-UHFFFAOYSA-N
XLogP0.42
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(aminomethyl)-N-(4-methyl-2-morpholin-4-ylpentyl)cyclopropane-1-carboxamide
CID 115453115
4-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)propyl]oxane-4-carboxamide;dihydrochloride
CID 120939179
4-(aminomethyl)-N-(2-morpholin-4-yl-2-phenylethyl)oxane-4-carboxamide;dihydrochloride
CID 120939367
2-amino-N-(2-morpholin-4-ylpropyl)acetamide
CID 83620199
4-(aminomethyl)-N-(3-ethyl-2-hydroxypentyl)oxane-4-carboxamide;hydrochloride
CID 120932439
3-methyl-N-[(2S)-2-morpholin-4-ylpropyl]oxetane-3-carboxamide
CID 129345062
4-(methoxymethyl)-N-(2-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 120642361
4-(aminomethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)oxane-4-carboxamide
CID 115439421
4-(aminomethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]oxane-4-carboxamide
CID 120940265
4-(aminomethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]oxane-4-carboxamide
CID 120937948
4-(aminomethyl)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxane-4-carboxamide
CID 120937401
4-(aminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide
CID 107219096

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-morpholin-4-ylpropyl)oxane-4-carboxamide;dihydrochloride?
The IUPAC name of 4-(aminomethyl)-N-(2-morpholin-4-ylpropyl)oxane-4-carboxamide;dihydrochloride (CID 120939123) is 4-(aminomethyl)-N-(2-morpholin-4-ylpropyl)oxane-4-carboxamide;dihydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-(2-morpholin-4-ylpropyl)oxane-4-carboxamide;dihydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-(2-morpholin-4-ylpropyl)oxane-4-carboxamide;dihydrochloride is CC(CNC(=O)C1(CN)CCOCC1)N1CCOCC1.Cl.Cl.
What is the InChIKey of 4-(aminomethyl)-N-(2-morpholin-4-ylpropyl)oxane-4-carboxamide;dihydrochloride?
The InChIKey is HMNPQRYSVHYTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3.2ClH/c1-12(17-4-8-20-9-5-17)10-16-13(18)14(11-15)2-6-19-7-3-14;;/h12H,2-11,15H2,1H3,(H,16,18);2*1H.
What are the key properties of 4-(aminomethyl)-N-(2-morpholin-4-ylpropyl)oxane-4-carboxamide;dihydrochloride?
4-(aminomethyl)-N-(2-morpholin-4-ylpropyl)oxane-4-carboxamide;dihydrochloride has a molecular weight of 358.31 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-morpholin-4-ylpropyl)oxane-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120939123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).