4-(aminomethyl)-N-(2-methylcyclopropyl)oxane-4-carboxamide

C11H20N2O2 — CID 62396747

IUPAC4-(aminomethyl)-N-(2-methylcyclopropyl)oxane-4-carboxamide
SMILESCC1CC1NC(=O)C1(CN)CCOCC1
InChIInChI=1S/C11H20N2O2/c1-8-6-9(8)13-10(14)11(7-12)2-4-15-5-3-11/h8-9H,2-7,12H2,1H3,(H,13,14)
InChIKeyWUVGVCLCJFLTPT-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.27
Rot. Bonds3

About 4-(aminomethyl)-N-(2-methylcyclopropyl)oxane-4-carboxamide

4-(aminomethyl)-N-(2-methylcyclopropyl)oxane-4-carboxamide (PubChem CID 62396747) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-methylcyclopropyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-methylcyclopropyl)oxane-4-carboxamide
PubChem CID62396747
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name4-(aminomethyl)-N-(2-methylcyclopropyl)oxane-4-carboxamide
SMILESCC1CC1NC(=O)C1(CN)CCOCC1
InChIInChI=1S/C11H20N2O2/c1-8-6-9(8)13-10(14)11(7-12)2-4-15-5-3-11/h8-9H,2-7,12H2,1H3,(H,13,14)
InChIKeyWUVGVCLCJFLTPT-UHFFFAOYSA-N
XLogP0.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(2,4-dimethylcyclohexyl)oxane-4-carboxamide
CID 63995716
4-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]oxane-4-carboxamide
CID 107221619
1-(aminomethyl)-N-(2-methyloxolan-3-yl)cyclopropane-1-carboxamide
CID 82725766
4-(aminomethyl)oxane-4-carbohydrazide
CID 115439594
4-(aminomethyl)-N-(2,2-dimethylcyclopentyl)oxane-4-carboxamide
CID 79870065
4-(aminomethyl)-N-(2-benzylcyclopropyl)oxane-4-carboxamide
CID 120935074
4-(aminomethyl)-N-[2-(2,6-difluorophenyl)cyclopropyl]oxane-4-carboxamide;hydrochloride
CID 120933820
4-(aminomethyl)-N-(oxan-3-yl)oxane-4-carboxamide
CID 63363409
1-(aminomethyl)-N-(2-methyloxolan-3-yl)cyclohexane-1-carboxamide
CID 82726373
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride
CID 120935393
1-(aminomethyl)-N-(2,4-dimethylcyclohexyl)cyclohexane-1-carboxamide
CID 63996093
4-(aminomethyl)-N-[2-(3-fluorophenyl)cyclopropyl]oxane-4-carboxamide
CID 120928202

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-methylcyclopropyl)oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(2-methylcyclopropyl)oxane-4-carboxamide (CID 62396747) is 4-(aminomethyl)-N-(2-methylcyclopropyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-methylcyclopropyl)oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-methylcyclopropyl)oxane-4-carboxamide is CC1CC1NC(=O)C1(CN)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(2-methylcyclopropyl)oxane-4-carboxamide?
The InChIKey is WUVGVCLCJFLTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8-6-9(8)13-10(14)11(7-12)2-4-15-5-3-11/h8-9H,2-7,12H2,1H3,(H,13,14).
What are the key properties of 4-(aminomethyl)-N-(2-methylcyclopropyl)oxane-4-carboxamide?
4-(aminomethyl)-N-(2-methylcyclopropyl)oxane-4-carboxamide has a molecular weight of 212.29 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-methylcyclopropyl)oxane-4-carboxamide is sourced from PubChem (CID 62396747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).