N-[2-(aminomethyl)cyclopentyl]-3-methyloxane-4-carboxamide

C13H24N2O2 — CID 114240866

IUPACN-[2-(aminomethyl)cyclopentyl]-3-methyloxane-4-carboxamide
SMILESCC1COCCC1C(=O)NC1CCCC1CN
InChIInChI=1S/C13H24N2O2/c1-9-8-17-6-5-11(9)13(16)15-12-4-2-3-10(12)7-14/h9-12H,2-8,14H2,1H3,(H,15,16)
InChIKeyBHCCFJBUUNNOOE-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.90
Rot. Bonds3

About N-[2-(aminomethyl)cyclopentyl]-3-methyloxane-4-carboxamide

N-[2-(aminomethyl)cyclopentyl]-3-methyloxane-4-carboxamide (PubChem CID 114240866) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-3-methyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-3-methyloxane-4-carboxamide
PubChem CID114240866
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-3-methyloxane-4-carboxamide
SMILESCC1COCCC1C(=O)NC1CCCC1CN
InChIInChI=1S/C13H24N2O2/c1-9-8-17-6-5-11(9)13(16)15-12-4-2-3-10(12)7-14/h9-12H,2-8,14H2,1H3,(H,15,16)
InChIKeyBHCCFJBUUNNOOE-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-(aminomethyl)cyclopentyl]oxane-4-carboxamide;hydrochloride
CID 119600451
N-[(2-aminocyclopentyl)methyl]-3-methyloxane-4-carboxamide
CID 114241768
trans-(1R,2S)-2-(aminomethyl)-N-(2-methylcyclopropyl)cyclopentane-1-carboxamide
CID 130760150
(2R)-N-[2-(aminomethyl)cyclopentyl]oxolane-2-carboxamide
CID 104856349
[(1S,2R)-2-(aminomethyl)cyclopentyl]urea
CID 94903973
2-(aminomethyl)-N-(2-methyloxolan-3-yl)cyclohexane-1-carboxamide
CID 82728576
N-[2-(chloromethyl)cyclopentyl]-2-methyloxolane-3-carboxamide
CID 106365998
N-[2-(chloromethyl)cyclopentyl]-2-methylcyclopropane-1-carboxamide
CID 106366126
cis-(1S,2R)-2-methyl-N-[(1S,2R)-2-propylcyclohexyl]cyclopropane-1-carboxamide
CID 124840040
4-[(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid
CID 107175660
2-amino-N-[2-(aminomethyl)cyclopentyl]propanamide
CID 130609723
[(1S,2R)-2-(aminomethyl)cyclohexyl]carbamic acid
CID 124566826

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-methyloxane-4-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-methyloxane-4-carboxamide (CID 114240866) is N-[2-(aminomethyl)cyclopentyl]-3-methyloxane-4-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-3-methyloxane-4-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-3-methyloxane-4-carboxamide is CC1COCCC1C(=O)NC1CCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-3-methyloxane-4-carboxamide?
The InChIKey is BHCCFJBUUNNOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9-8-17-6-5-11(9)13(16)15-12-4-2-3-10(12)7-14/h9-12H,2-8,14H2,1H3,(H,15,16).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-3-methyloxane-4-carboxamide?
N-[2-(aminomethyl)cyclopentyl]-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-(aminomethyl)cyclopentyl]-3-methyloxane-4-carboxamide is sourced from PubChem (CID 114240866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).