N-[(2-aminocyclopentyl)methyl]-3-methyloxane-4-carboxamide

C13H24N2O2 — CID 114241768

IUPACN-[(2-aminocyclopentyl)methyl]-3-methyloxane-4-carboxamide
SMILESCC1COCCC1C(=O)NCC1CCCC1N
InChIInChI=1S/C13H24N2O2/c1-9-8-17-6-5-11(9)13(16)15-7-10-3-2-4-12(10)14/h9-12H,2-8,14H2,1H3,(H,15,16)
InChIKeyINVPAFACKQIDEZ-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.90
Rot. Bonds3

About N-[(2-aminocyclopentyl)methyl]-3-methyloxane-4-carboxamide

N-[(2-aminocyclopentyl)methyl]-3-methyloxane-4-carboxamide (PubChem CID 114241768) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[(2-aminocyclopentyl)methyl]-3-methyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[(2-aminocyclopentyl)methyl]-3-methyloxane-4-carboxamide
PubChem CID114241768
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-[(2-aminocyclopentyl)methyl]-3-methyloxane-4-carboxamide
SMILESCC1COCCC1C(=O)NCC1CCCC1N
InChIInChI=1S/C13H24N2O2/c1-9-8-17-6-5-11(9)13(16)15-7-10-3-2-4-12(10)14/h9-12H,2-8,14H2,1H3,(H,15,16)
InChIKeyINVPAFACKQIDEZ-UHFFFAOYSA-N
XLogP0.90
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 ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-aminocyclohexyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 64928230
4-amino-N-[(2-methylcyclohexyl)methyl]oxolane-3-carboxamide
CID 66237085
N-[2-(aminomethyl)cyclopentyl]-3-methyloxane-4-carboxamide
CID 114240866
2-amino-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide
CID 62825271
N-(2-bromoprop-2-enyl)-3-methyloxane-4-carboxamide
CID 130173977
N-[(2-aminocyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 64928421
4-amino-2-methyl-N-[(2-methylcyclohexyl)methyl]cyclohexane-1-carboxamide
CID 55116865
2-amino-N-(1,4-dioxan-2-ylmethyl)-6-methylcyclohexane-1-carboxamide
CID 62783221
N-[(2-aminocyclopentyl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115737026
4-amino-N-[(2-hydroxycyclohexyl)methyl]oxolane-3-carboxamide
CID 66235488
N-[(2-methylcyclopentyl)methyl]-4-(propylamino)oxolane-3-carboxamide
CID 107418568
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-methylcyclopentane-1-carboxamide
CID 107184223

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminocyclopentyl)methyl]-3-methyloxane-4-carboxamide?
The IUPAC name of N-[(2-aminocyclopentyl)methyl]-3-methyloxane-4-carboxamide (CID 114241768) is N-[(2-aminocyclopentyl)methyl]-3-methyloxane-4-carboxamide.
What is the SMILES notation for N-[(2-aminocyclopentyl)methyl]-3-methyloxane-4-carboxamide?
The canonical SMILES for N-[(2-aminocyclopentyl)methyl]-3-methyloxane-4-carboxamide is CC1COCCC1C(=O)NCC1CCCC1N.
What is the InChIKey of N-[(2-aminocyclopentyl)methyl]-3-methyloxane-4-carboxamide?
The InChIKey is INVPAFACKQIDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9-8-17-6-5-11(9)13(16)15-7-10-3-2-4-12(10)14/h9-12H,2-8,14H2,1H3,(H,15,16).
What are the key properties of N-[(2-aminocyclopentyl)methyl]-3-methyloxane-4-carboxamide?
N-[(2-aminocyclopentyl)methyl]-3-methyloxane-4-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminocyclopentyl)methyl]-3-methyloxane-4-carboxamide is sourced from PubChem (CID 114241768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).