4-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]oxane-4-carboxamide

C16H30N2O2 — CID 115295165

IUPAC4-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]oxane-4-carboxamide
SMILESCC(C)CC1(CNC(=O)C2(N)CCOCC2)CCCC1
InChIInChI=1S/C16H30N2O2/c1-13(2)11-15(5-3-4-6-15)12-18-14(19)16(17)7-9-20-10-8-16/h13H,3-12,17H2,1-2H3,(H,18,19)
InChIKeyAVGOHXWIHCUXGT-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.22
Rot. Bonds5

About 4-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]oxane-4-carboxamide

4-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]oxane-4-carboxamide (PubChem CID 115295165) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 4-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]oxane-4-carboxamide
PubChem CID115295165
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name4-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]oxane-4-carboxamide
SMILESCC(C)CC1(CNC(=O)C2(N)CCOCC2)CCCC1
InChIInChI=1S/C16H30N2O2/c1-13(2)11-15(5-3-4-6-15)12-18-14(19)16(17)7-9-20-10-8-16/h13H,3-12,17H2,1-2H3,(H,18,19)
InChIKeyAVGOHXWIHCUXGT-UHFFFAOYSA-N
XLogP2.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4,4-dimethylpentylamino)-N-methyloxane-4-carboxamide
CID 70791622
4-(2-cyclohexylethylamino)-N-methyloxane-4-carboxamide
CID 153338441
N-(2,2,6-trimethylheptan-3-yl)oxane-4-carboxamide
CID 60316965
2-amino-N-(2-tert-butylcyclohexyl)-4-methoxybutanamide
CID 62472637
2-amino-4-methoxy-N-[4-(2-methylbutan-2-yl)cyclohexyl]butanamide
CID 62474807
2-Amino-1-(8-azaspiro[4.5]decan-8-yl)-4-methoxybutan-1-one
CID 63163315
4-(aminomethyl)-N-(1-cyclopentylethyl)oxane-4-carboxamide
CID 64112084
3-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]oxolane-3-carboxamide
CID 64891109
N-[1-oxo-1-(2,4,4-trimethylpentan-2-ylamino)propan-2-yl]oxane-4-carboxamide
CID 71932119
4-cyano-N-[[1-(2-methylpropyl)cyclopentyl]methyl]oxane-4-carboxamide
CID 80186768
4-(aminomethyl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]oxane-4-carboxamide
CID 80230102
2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-N-(oxan-4-yl)acetamide
CID 80231943

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]oxane-4-carboxamide?
The IUPAC name of 4-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]oxane-4-carboxamide (CID 115295165) is 4-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]oxane-4-carboxamide is CC(C)CC1(CNC(=O)C2(N)CCOCC2)CCCC1.
What is the InChIKey of 4-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]oxane-4-carboxamide?
The InChIKey is AVGOHXWIHCUXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-13(2)11-15(5-3-4-6-15)12-18-14(19)16(17)7-9-20-10-8-16/h13H,3-12,17H2,1-2H3,(H,18,19).
What are the key properties of 4-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]oxane-4-carboxamide?
4-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]oxane-4-carboxamide has a molecular weight of 282.43 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]oxane-4-carboxamide is sourced from PubChem (CID 115295165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).