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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Related Compounds

N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]oxolane-2-carboxamide
CID 103890903
N-[3-(aminomethyl)pentan-3-yl]-1,4-dioxane-2-carboxamide;hydrochloride
CID 119260774
N-[3-(aminomethyl)pentan-3-yl]oxane-4-carboxamide;hydrochloride
CID 119568602
(2S)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]oxolane-2-carboxamide
CID 107846708
tert-butyl N-[2-ethyl-2-[[(2S)-oxolane-2-carbonyl]amino]butyl]carbamate
CID 95331048
(2S)-N-ethoxyoxolane-2-carboxamide
CID 103872070
N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)oxane-2-carboxamide
CID 76937423
(2R)-N-(1,3-dihydroxy-2-methylpropan-2-yl)oxolane-2-carboxamide
CID 104856124
N-(1-bromo-3-methylpentan-3-yl)oxolane-2-carboxamide
CID 106169618
N-[3-(aminomethyl)pentan-3-yl]cyclohex-3-ene-1-carboxamide
CID 63888954
N-(2-amino-2-ethylbutyl)oxolane-2-carboxamide;hydrochloride
CID 119261227
N-(2-oxopropyl)oxane-2-carboxamide
CID 64997273

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).