4-(aminomethyl)-N-(3-methylpentan-3-yl)oxane-4-carboxamide

C13H26N2O2 — CID 114174162

IUPAC4-(aminomethyl)-N-(3-methylpentan-3-yl)oxane-4-carboxamide
SMILESCCC(C)(CC)NC(=O)C1(CN)CCOCC1
InChIInChI=1S/C13H26N2O2/c1-4-12(3,5-2)15-11(16)13(10-14)6-8-17-9-7-13/h4-10,14H2,1-3H3,(H,15,16)
InChIKeyPJPFWLHEOUHVSL-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.44
Rot. Bonds5

About 4-(aminomethyl)-N-(3-methylpentan-3-yl)oxane-4-carboxamide

4-(aminomethyl)-N-(3-methylpentan-3-yl)oxane-4-carboxamide (PubChem CID 114174162) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3-methylpentan-3-yl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3-methylpentan-3-yl)oxane-4-carboxamide
PubChem CID114174162
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name4-(aminomethyl)-N-(3-methylpentan-3-yl)oxane-4-carboxamide
SMILESCCC(C)(CC)NC(=O)C1(CN)CCOCC1
InChIInChI=1S/C13H26N2O2/c1-4-12(3,5-2)15-11(16)13(10-14)6-8-17-9-7-13/h4-10,14H2,1-3H3,(H,15,16)
InChIKeyPJPFWLHEOUHVSL-UHFFFAOYSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(aminomethyl)oxane-4-carbonyl]amino]-3-methylbutanoic acid
CID 113310140
4-(aminomethyl)oxane-4-carbohydrazide
CID 115439594
4-(aminomethyl)-N-[2-(2,2-dimethylpropanoylamino)ethyl]oxane-4-carboxamide;hydrochloride
CID 120929562
4-(aminomethyl)-N-hexan-3-yloxane-4-carboxamide
CID 62117621
4-(aminomethyl)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]oxane-4-carboxamide
CID 106275847
4-(aminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide
CID 107219096
4-(aminomethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)oxane-4-carboxamide
CID 115439421
4-(aminomethyl)-N-(1-hydroxybutan-2-yl)oxane-4-carboxamide
CID 115438973
4-(aminomethyl)-N-(2-methylcyclopropyl)oxane-4-carboxamide
CID 62396747
methyl 2-[[4-(aminomethyl)oxane-4-carbonyl]amino]butanoate;hydrochloride
CID 120922194
4-ethyl-N-(3-methylpentan-3-yl)piperidine-4-carboxamide
CID 106328694
4-(aminomethyl)-N-(3-ethyl-2-hydroxypentyl)oxane-4-carboxamide;hydrochloride
CID 120932439

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3-methylpentan-3-yl)oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(3-methylpentan-3-yl)oxane-4-carboxamide (CID 114174162) is 4-(aminomethyl)-N-(3-methylpentan-3-yl)oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(3-methylpentan-3-yl)oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(3-methylpentan-3-yl)oxane-4-carboxamide is CCC(C)(CC)NC(=O)C1(CN)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(3-methylpentan-3-yl)oxane-4-carboxamide?
The InChIKey is PJPFWLHEOUHVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-12(3,5-2)15-11(16)13(10-14)6-8-17-9-7-13/h4-10,14H2,1-3H3,(H,15,16).
What are the key properties of 4-(aminomethyl)-N-(3-methylpentan-3-yl)oxane-4-carboxamide?
4-(aminomethyl)-N-(3-methylpentan-3-yl)oxane-4-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3-methylpentan-3-yl)oxane-4-carboxamide is sourced from PubChem (CID 114174162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).