N-[4-(aminomethyl)oxan-4-yl]-2-methylcyclopentane-1-carboxamide

C13H24N2O2 — CID 106297417

IUPACN-[4-(aminomethyl)oxan-4-yl]-2-methylcyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)NC1(CN)CCOCC1
InChIInChI=1S/C13H24N2O2/c1-10-3-2-4-11(10)12(16)15-13(9-14)5-7-17-8-6-13/h10-11H,2-9,14H2,1H3,(H,15,16)
InChIKeyGZUUSLZVFORSNF-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.05
Rot. Bonds3

About N-[4-(aminomethyl)oxan-4-yl]-2-methylcyclopentane-1-carboxamide

N-[4-(aminomethyl)oxan-4-yl]-2-methylcyclopentane-1-carboxamide (PubChem CID 106297417) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxan-4-yl]-2-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxan-4-yl]-2-methylcyclopentane-1-carboxamide
PubChem CID106297417
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-[4-(aminomethyl)oxan-4-yl]-2-methylcyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)NC1(CN)CCOCC1
InChIInChI=1S/C13H24N2O2/c1-10-3-2-4-11(10)12(16)15-13(9-14)5-7-17-8-6-13/h10-11H,2-9,14H2,1H3,(H,15,16)
InChIKeyGZUUSLZVFORSNF-UHFFFAOYSA-N
XLogP1.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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-[4-(chloromethyl)oxan-4-yl]-2-methylcyclopentane-1-carboxamide
CID 106300635
N-[4-(aminomethyl)oxan-4-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106297355
2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 106296956
1-[4-(aminomethyl)oxan-4-yl]-3-cyclobutylurea
CID 106297624
N-[4-(chloromethyl)oxan-4-yl]-2-methylcyclopropane-1-carboxamide
CID 106300320
1-[(2-methylcyclopentanecarbonyl)amino]cyclopropane-1-carboxylic acid
CID 107175622
N-[1-(aminomethyl)cyclohexyl]-5-methyloxolane-2-carboxamide
CID 81327458
1-[(2-methylcyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid
CID 107175126
N-[4-(hydroxymethyl)oxan-4-yl]-4-methylpyrrolidine-3-carboxamide
CID 106298598
N-[1-(aminomethyl)-4-methylcyclohexyl]cyclopentanecarboxamide
CID 55241583
N-[1-(aminomethyl)-4-methylcyclohexyl]oxane-2-carboxamide
CID 63767807
N-[4-(hydroxymethyl)oxan-4-yl]-2-methylpyrrolidine-3-carboxamide
CID 106298994

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-2-methylcyclopentane-1-carboxamide?
The IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-2-methylcyclopentane-1-carboxamide (CID 106297417) is N-[4-(aminomethyl)oxan-4-yl]-2-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)oxan-4-yl]-2-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)oxan-4-yl]-2-methylcyclopentane-1-carboxamide is CC1CCCC1C(=O)NC1(CN)CCOCC1.
What is the InChIKey of N-[4-(aminomethyl)oxan-4-yl]-2-methylcyclopentane-1-carboxamide?
The InChIKey is GZUUSLZVFORSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10-3-2-4-11(10)12(16)15-13(9-14)5-7-17-8-6-13/h10-11H,2-9,14H2,1H3,(H,15,16).
What are the key properties of N-[4-(aminomethyl)oxan-4-yl]-2-methylcyclopentane-1-carboxamide?
N-[4-(aminomethyl)oxan-4-yl]-2-methylcyclopentane-1-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)oxan-4-yl]-2-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 106297417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).