N-[3-(aminomethyl)pentan-3-yl]oxane-2-carboxamide

C12H24N2O2 — CID 63766692

IUPACN-[3-(aminomethyl)pentan-3-yl]oxane-2-carboxamide
SMILESCCC(CC)(CN)NC(=O)C1CCCCO1
InChIInChI=1S/C12H24N2O2/c1-3-12(4-2,9-13)14-11(15)10-7-5-6-8-16-10/h10H,3-9,13H2,1-2H3,(H,14,15)
InChIKeyFBYUMLGHKZLXIV-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.19
Rot. Bonds5

About N-[3-(aminomethyl)pentan-3-yl]oxane-2-carboxamide

N-[3-(aminomethyl)pentan-3-yl]oxane-2-carboxamide (PubChem CID 63766692) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]oxane-2-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]oxane-2-carboxamide
PubChem CID63766692
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]oxane-2-carboxamide
SMILESCCC(CC)(CN)NC(=O)C1CCCCO1
InChIInChI=1S/C12H24N2O2/c1-3-12(4-2,9-13)14-11(15)10-7-5-6-8-16-10/h10H,3-9,13H2,1-2H3,(H,14,15)
InChIKeyFBYUMLGHKZLXIV-UHFFFAOYSA-N
XLogP1.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]oxane-2-carboxamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]oxane-2-carboxamide (CID 63766692) is N-[3-(aminomethyl)pentan-3-yl]oxane-2-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]oxane-2-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]oxane-2-carboxamide is CCC(CC)(CN)NC(=O)C1CCCCO1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]oxane-2-carboxamide?
The InChIKey is FBYUMLGHKZLXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-12(4-2,9-13)14-11(15)10-7-5-6-8-16-10/h10H,3-9,13H2,1-2H3,(H,14,15).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]oxane-2-carboxamide?
N-[3-(aminomethyl)pentan-3-yl]oxane-2-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]oxane-2-carboxamide is sourced from PubChem (CID 63766692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).