N-[[4-(aminomethyl)oxan-4-yl]methyl]acetamide

C9H18N2O2 — CID 18614316

IUPACN-[[4-(aminomethyl)oxan-4-yl]methyl]acetamide
SMILESCC(=O)NCC1(CN)CCOCC1
InChIInChI=1S/C9H18N2O2/c1-8(12)11-7-9(6-10)2-4-13-5-3-9/h2-7,10H2,1H3,(H,11,12)
InChIKeyQLQLLGRSQMXKMB-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.12
Rot. Bonds3

About N-[[4-(aminomethyl)oxan-4-yl]methyl]acetamide

N-[[4-(aminomethyl)oxan-4-yl]methyl]acetamide (PubChem CID 18614316) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N-[[4-(aminomethyl)oxan-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)oxan-4-yl]methyl]acetamide
PubChem CID18614316
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN-[[4-(aminomethyl)oxan-4-yl]methyl]acetamide
SMILESCC(=O)NCC1(CN)CCOCC1
InChIInChI=1S/C9H18N2O2/c1-8(12)11-7-9(6-10)2-4-13-5-3-9/h2-7,10H2,1H3,(H,11,12)
InChIKeyQLQLLGRSQMXKMB-UHFFFAOYSA-N
XLogP-0.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)oxan-4-yl]methyl]acetamide?
The IUPAC name of N-[[4-(aminomethyl)oxan-4-yl]methyl]acetamide (CID 18614316) is N-[[4-(aminomethyl)oxan-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[4-(aminomethyl)oxan-4-yl]methyl]acetamide?
The canonical SMILES for N-[[4-(aminomethyl)oxan-4-yl]methyl]acetamide is CC(=O)NCC1(CN)CCOCC1.
What is the InChIKey of N-[[4-(aminomethyl)oxan-4-yl]methyl]acetamide?
The InChIKey is QLQLLGRSQMXKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-8(12)11-7-9(6-10)2-4-13-5-3-9/h2-7,10H2,1H3,(H,11,12).
What are the key properties of N-[[4-(aminomethyl)oxan-4-yl]methyl]acetamide?
N-[[4-(aminomethyl)oxan-4-yl]methyl]acetamide has a molecular weight of 186.25 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)oxan-4-yl]methyl]acetamide is sourced from PubChem (CID 18614316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).