N-(5-amino-4-methylpentyl)oxane-3-carboxamide

C12H24N2O2 — CID 106153124

IUPACN-(5-amino-4-methylpentyl)oxane-3-carboxamide
SMILESCC(CN)CCCNC(=O)C1CCCOC1
InChIInChI=1S/C12H24N2O2/c1-10(8-13)4-2-6-14-12(15)11-5-3-7-16-9-11/h10-11H,2-9,13H2,1H3,(H,14,15)
InChIKeyQNYUPHMDYITTGJ-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.90
Rot. Bonds6

About N-(5-amino-4-methylpentyl)oxane-3-carboxamide

N-(5-amino-4-methylpentyl)oxane-3-carboxamide (PubChem CID 106153124) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(5-amino-4-methylpentyl)oxane-3-carboxamide.

Molecular Properties

Compound NameN-(5-amino-4-methylpentyl)oxane-3-carboxamide
PubChem CID106153124
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(5-amino-4-methylpentyl)oxane-3-carboxamide
SMILESCC(CN)CCCNC(=O)C1CCCOC1
InChIInChI=1S/C12H24N2O2/c1-10(8-13)4-2-6-14-12(15)11-5-3-7-16-9-11/h10-11H,2-9,13H2,1H3,(H,14,15)
InChIKeyQNYUPHMDYITTGJ-UHFFFAOYSA-N
XLogP0.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-2-methylpropyl)oxane-3-carboxamide
CID 63011321
N-[2-(2-methylpentanoylamino)ethyl]oxane-3-carboxamide
CID 154759417
N-[(2R)-1-aminopropan-2-yl]oxane-3-carboxamide
CID 104873146
N-(4-iodobutyl)oxane-3-carboxamide
CID 106846215
2-methyl-5-(oxolane-3-carbonylamino)pentanoic acid
CID 104682491
1-(5-amino-4-methylpentyl)-3-(oxolan-3-yl)urea
CID 106153750
N-(3-amino-3-sulfanylidenepropyl)oxane-3-carboxamide
CID 63014889
N-(4-amino-4-sulfanylidenebutyl)oxolane-3-carboxamide
CID 62668088
N-(1-aminopentan-2-yl)oxane-3-carboxamide
CID 65191424
N-(3-bromobutyl)oxolane-3-carboxamide
CID 114312616
N-(3-amino-3-hydroxyimino-2-methylpropyl)oxane-3-carboxamide
CID 76982084
N-(3-piperazin-1-ylpropyl)oxane-3-carboxamide
CID 62760131

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-4-methylpentyl)oxane-3-carboxamide?
The IUPAC name of N-(5-amino-4-methylpentyl)oxane-3-carboxamide (CID 106153124) is N-(5-amino-4-methylpentyl)oxane-3-carboxamide.
What is the SMILES notation for N-(5-amino-4-methylpentyl)oxane-3-carboxamide?
The canonical SMILES for N-(5-amino-4-methylpentyl)oxane-3-carboxamide is CC(CN)CCCNC(=O)C1CCCOC1.
What is the InChIKey of N-(5-amino-4-methylpentyl)oxane-3-carboxamide?
The InChIKey is QNYUPHMDYITTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(8-13)4-2-6-14-12(15)11-5-3-7-16-9-11/h10-11H,2-9,13H2,1H3,(H,14,15).
What are the key properties of N-(5-amino-4-methylpentyl)oxane-3-carboxamide?
N-(5-amino-4-methylpentyl)oxane-3-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-4-methylpentyl)oxane-3-carboxamide is sourced from PubChem (CID 106153124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).