N-[[1-(aminomethyl)cyclopentyl]methyl]oxane-3-carboxamide

C13H24N2O2 — CID 115365575

IUPACN-[[1-(aminomethyl)cyclopentyl]methyl]oxane-3-carboxamide
SMILESNCC1(CNC(=O)C2CCCOC2)CCCC1
InChIInChI=1S/C13H24N2O2/c14-9-13(5-1-2-6-13)10-15-12(16)11-4-3-7-17-8-11/h11H,1-10,14H2,(H,15,16)
InChIKeyRQRJEFZOOALNIX-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.05
Rot. Bonds4

About N-[[1-(aminomethyl)cyclopentyl]methyl]oxane-3-carboxamide

N-[[1-(aminomethyl)cyclopentyl]methyl]oxane-3-carboxamide (PubChem CID 115365575) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopentyl]methyl]oxane-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopentyl]methyl]oxane-3-carboxamide
PubChem CID115365575
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-[[1-(aminomethyl)cyclopentyl]methyl]oxane-3-carboxamide
SMILESNCC1(CNC(=O)C2CCCOC2)CCCC1
InChIInChI=1S/C13H24N2O2/c14-9-13(5-1-2-6-13)10-15-12(16)11-4-3-7-17-8-11/h11H,1-10,14H2,(H,15,16)
InChIKeyRQRJEFZOOALNIX-UHFFFAOYSA-N
XLogP1.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(hydroxymethyl)cyclopentyl]methyl]oxane-3-carboxamide
CID 113294474
(3S)-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]oxane-3-carboxamide
CID 96569943
N-[[1-(2-aminoethyl)cyclopropyl]methyl]oxolane-3-carboxamide
CID 114758784
N-[[1-(chloromethyl)cyclohexyl]methyl]oxolane-3-carboxamide
CID 103969555
N-[[1-(aminomethyl)cyclohexyl]methyl]-4,4-difluorocyclohexane-1-carboxamide
CID 103970120
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]oxane-3-carboxamide
CID 111115377
N-(3-amino-2-methylpropyl)oxane-3-carboxamide
CID 63011321
N-(3-amino-3-sulfanylidenepropyl)oxane-3-carboxamide
CID 63014889
N-[[1-(aminomethyl)cyclohexyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 103970156
N-[[1-(aminomethyl)cyclopentyl]methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 113295138
(3R)-N-[1-(ethylcarbamoyl)cyclopentyl]oxane-3-carboxamide
CID 124737897
N-[(4-hydroxyoxan-4-yl)methyl]oxolane-3-carboxamide
CID 79039521

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]oxane-3-carboxamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]oxane-3-carboxamide (CID 115365575) is N-[[1-(aminomethyl)cyclopentyl]methyl]oxane-3-carboxamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopentyl]methyl]oxane-3-carboxamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopentyl]methyl]oxane-3-carboxamide is NCC1(CNC(=O)C2CCCOC2)CCCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopentyl]methyl]oxane-3-carboxamide?
The InChIKey is RQRJEFZOOALNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c14-9-13(5-1-2-6-13)10-15-12(16)11-4-3-7-17-8-11/h11H,1-10,14H2,(H,15,16).
What are the key properties of N-[[1-(aminomethyl)cyclopentyl]methyl]oxane-3-carboxamide?
N-[[1-(aminomethyl)cyclopentyl]methyl]oxane-3-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopentyl]methyl]oxane-3-carboxamide is sourced from PubChem (CID 115365575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).