4-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)-N-methyloxane-4-carboxamide

C12H24N2O3 — CID 79390007

IUPAC4-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)-N-methyloxane-4-carboxamide
SMILESCN(CC(C)(C)O)C(=O)C1(CN)CCOCC1
InChIInChI=1S/C12H24N2O3/c1-11(2,16)9-14(3)10(15)12(8-13)4-6-17-7-5-12/h16H,4-9,13H2,1-3H3
InChIKeyAVGMIYGXRGGQRU-UHFFFAOYSA-N
MW244.33 g/mol
LogP-0.03
Rot. Bonds4

About 4-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)-N-methyloxane-4-carboxamide

4-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)-N-methyloxane-4-carboxamide (PubChem CID 79390007) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)-N-methyloxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)-N-methyloxane-4-carboxamide
PubChem CID79390007
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name4-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)-N-methyloxane-4-carboxamide
SMILESCN(CC(C)(C)O)C(=O)C1(CN)CCOCC1
InChIInChI=1S/C12H24N2O3/c1-11(2,16)9-14(3)10(15)12(8-13)4-6-17-7-5-12/h16H,4-9,13H2,1-3H3
InChIKeyAVGMIYGXRGGQRU-UHFFFAOYSA-N
XLogP-0.03
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyloxane-4-carboxamide
CID 115439195
3-amino-N-(2-hydroxy-2-methylpropyl)-N-methyloxolane-3-carboxamide
CID 79378741
4-(N'-hydroxycarbamimidoyl)-N-(2-hydroxy-2-methylpropyl)-N-methyloxane-4-carboxamide
CID 79385785
4-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methyloxane-4-carboxamide
CID 115439217
4-(aminomethyl)-N-(4-tert-butylphenyl)-N-methyloxane-4-carboxamide
CID 120927474
4-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide;hydrochloride
CID 120922145
4-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]oxane-4-carboxamide;hydrochloride
CID 120918448
4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxane-4-carboxamide
CID 120926401
4-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]oxane-4-carboxylic acid
CID 115293279
4-(aminomethyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 120938284
4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxane-4-carboxamide;hydrochloride
CID 120926400
4-(aminomethyl)-N-[2-(4-bromophenyl)ethyl]-N-methyloxane-4-carboxamide;hydrochloride
CID 120930723

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)-N-methyloxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)-N-methyloxane-4-carboxamide (CID 79390007) is 4-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)-N-methyloxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)-N-methyloxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)-N-methyloxane-4-carboxamide is CN(CC(C)(C)O)C(=O)C1(CN)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)-N-methyloxane-4-carboxamide?
The InChIKey is AVGMIYGXRGGQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-11(2,16)9-14(3)10(15)12(8-13)4-6-17-7-5-12/h16H,4-9,13H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)-N-methyloxane-4-carboxamide?
4-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)-N-methyloxane-4-carboxamide has a molecular weight of 244.33 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)-N-methyloxane-4-carboxamide is sourced from PubChem (CID 79390007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).