N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide

C11H22N2O3 — CID 57307500

IUPACN-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide
SMILESCC(C)(C)ON(C=O)CC1CCC(CN)O1
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-13(8-14)7-10-5-4-9(6-12)15-10/h8-10H,4-7,12H2,1-3H3
InChIKeyLCLQDYJXNDTNEV-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.68
Rot. Bonds5

About N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide

N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide (PubChem CID 57307500) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide.

Molecular Properties

Compound NameN-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide
PubChem CID57307500
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC NameN-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide
SMILESCC(C)(C)ON(C=O)CC1CCC(CN)O1
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-13(8-14)7-10-5-4-9(6-12)15-10/h8-10H,4-7,12H2,1-3H3
InChIKeyLCLQDYJXNDTNEV-UHFFFAOYSA-N
XLogP0.68
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The IUPAC name of N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide (CID 57307500) is N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide.
What is the SMILES notation for N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The canonical SMILES for N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide is CC(C)(C)ON(C=O)CC1CCC(CN)O1.
What is the InChIKey of N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The InChIKey is LCLQDYJXNDTNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,3)16-13(8-14)7-10-5-4-9(6-12)15-10/h8-10H,4-7,12H2,1-3H3.
What are the key properties of N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide has a molecular weight of 230.31 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide is sourced from PubChem (CID 57307500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).