4-(aminomethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)oxane-4-carboxamide

C15H29N3O3 — CID 115439421

IUPAC4-(aminomethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)oxane-4-carboxamide
SMILESCC(C)(CNC(=O)C1(CN)CCOCC1)N1CCOCC1
InChIInChI=1S/C15H29N3O3/c1-14(2,18-5-9-21-10-6-18)12-17-13(19)15(11-16)3-7-20-8-4-15/h3-12,16H2,1-2H3,(H,17,19)
InChIKeyKRZMBBJSHZMJFZ-UHFFFAOYSA-N
MW299.41 g/mol
LogP-0.03
Rot. Bonds5

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

4-(aminomethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)oxane-4-carboxamide (PubChem CID 115439421) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)oxane-4-carboxamide
PubChem CID115439421
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC Name4-(aminomethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)oxane-4-carboxamide
SMILESCC(C)(CNC(=O)C1(CN)CCOCC1)N1CCOCC1
InChIInChI=1S/C15H29N3O3/c1-14(2,18-5-9-21-10-6-18)12-17-13(19)15(11-16)3-7-20-8-4-15/h3-12,16H2,1-2H3,(H,17,19)
InChIKeyKRZMBBJSHZMJFZ-UHFFFAOYSA-N
XLogP-0.03
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-[2-(4-methoxypiperidin-1-yl)-2-methylpropyl]oxane-4-carboxamide
CID 120941475
1-amino-N-(2-methyl-2-morpholin-4-ylpropyl)cyclohexane-1-carboxamide
CID 61248465
1-(aminomethyl)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide
CID 115435181
4-(aminomethyl)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]oxane-4-carboxamide
CID 106275847
2,2,2-trifluoro-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 62490413
2-(1-aminocyclohexyl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 64679417
7-amino-N-(2-methyl-2-morpholin-4-ylpropyl)heptanamide
CID 61248464
3-chloro-2,2-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
CID 63663829
4-(aminomethyl)-N-[2-(2,2-dimethylpropanoylamino)ethyl]oxane-4-carboxamide;hydrochloride
CID 120929562
4-(aminomethyl)-N-(2-morpholin-4-ylpropyl)oxane-4-carboxamide;dihydrochloride
CID 120939123
N-(2-methyl-2-morpholin-4-ylpropyl)-1-phenylcyclopropane-1-carboxamide
CID 51173133
4-(aminomethyl)-N-(2,2-dimethyl-3-phenylpropyl)oxane-4-carboxamide
CID 120933958

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)oxane-4-carboxamide (CID 115439421) is 4-(aminomethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)oxane-4-carboxamide is CC(C)(CNC(=O)C1(CN)CCOCC1)N1CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)oxane-4-carboxamide?
The InChIKey is KRZMBBJSHZMJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-14(2,18-5-9-21-10-6-18)12-17-13(19)15(11-16)3-7-20-8-4-15/h3-12,16H2,1-2H3,(H,17,19).
What are the key properties of 4-(aminomethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)oxane-4-carboxamide?
4-(aminomethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)oxane-4-carboxamide has a molecular weight of 299.41 g/mol, XLogP of -0.03, 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-methyl-2-morpholin-4-ylpropyl)oxane-4-carboxamide is sourced from PubChem (CID 115439421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).