4-(aminomethyl)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]oxane-4-carboxamide

C13H25N3O3 — CID 106275847

IUPAC4-(aminomethyl)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]oxane-4-carboxamide
SMILESCNC(=O)C(C)(C)CNC(=O)C1(CN)CCOCC1
InChIInChI=1S/C13H25N3O3/c1-12(2,10(17)15-3)9-16-11(18)13(8-14)4-6-19-7-5-13/h4-9,14H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyRMHWESZAOLSRRC-UHFFFAOYSA-N
MW271.36 g/mol
LogP-0.37
Rot. Bonds5

About 4-(aminomethyl)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]oxane-4-carboxamide

4-(aminomethyl)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]oxane-4-carboxamide (PubChem CID 106275847) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]oxane-4-carboxamide
PubChem CID106275847
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name4-(aminomethyl)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]oxane-4-carboxamide
SMILESCNC(=O)C(C)(C)CNC(=O)C1(CN)CCOCC1
InChIInChI=1S/C13H25N3O3/c1-12(2,10(17)15-3)9-16-11(18)13(8-14)4-6-19-7-5-13/h4-9,14H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyRMHWESZAOLSRRC-UHFFFAOYSA-N
XLogP-0.37
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)oxane-4-carboxamide
CID 115439421
4-(aminomethyl)-N-[2-(2,2-dimethylpropanoylamino)ethyl]oxane-4-carboxamide;hydrochloride
CID 120929562
4-(aminomethyl)-N-(2,2-dimethyl-3-phenylpropyl)oxane-4-carboxamide
CID 120933958
4-(aminomethyl)-N-(3-methylpentan-3-yl)oxane-4-carboxamide
CID 114174162
1-(aminomethyl)-N-[2-methyl-2-(oxan-4-yl)propyl]cyclobutane-1-carboxamide
CID 115183609
4-(aminomethyl)oxane-4-carbohydrazide
CID 115439594
4-(aminomethyl)-N-[2-(4-methoxypiperidin-1-yl)-2-methylpropyl]oxane-4-carboxamide
CID 120941475
3-[[4-(aminomethyl)oxane-4-carbonyl]amino]-3-methylbutanoic acid
CID 113310140
1-(aminomethyl)-N-(2-methoxy-2-methylpropyl)cyclopropane-1-carboxamide
CID 104759874
4-(aminomethyl)-N-(2-methylcyclopropyl)oxane-4-carboxamide
CID 62396747
1-(aminomethyl)-N-(2,2,3,3-tetramethylbutyl)cyclobutane-1-carboxamide
CID 115183598
4-(aminomethyl)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxane-4-carboxamide
CID 120937401

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]oxane-4-carboxamide (CID 106275847) is 4-(aminomethyl)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]oxane-4-carboxamide is CNC(=O)C(C)(C)CNC(=O)C1(CN)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]oxane-4-carboxamide?
The InChIKey is RMHWESZAOLSRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-12(2,10(17)15-3)9-16-11(18)13(8-14)4-6-19-7-5-13/h4-9,14H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of 4-(aminomethyl)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]oxane-4-carboxamide?
4-(aminomethyl)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]oxane-4-carboxamide has a molecular weight of 271.36 g/mol, XLogP of -0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]oxane-4-carboxamide is sourced from PubChem (CID 106275847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).