N-(2-aminoethyl)-N'-[(3-methylcyclopentyl)methyl]oxamide

C11H21N3O2 — CID 107411052

IUPACN-(2-aminoethyl)-N'-[(3-methylcyclopentyl)methyl]oxamide
SMILESCC1CCC(CNC(=O)C(=O)NCCN)C1
InChIInChI=1S/C11H21N3O2/c1-8-2-3-9(6-8)7-14-11(16)10(15)13-5-4-12/h8-9H,2-7,12H2,1H3,(H,13,15)(H,14,16)
InChIKeyFUMVIBNNBWLDHN-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.39
Rot. Bonds4

About N-(2-aminoethyl)-N'-[(3-methylcyclopentyl)methyl]oxamide

N-(2-aminoethyl)-N'-[(3-methylcyclopentyl)methyl]oxamide (PubChem CID 107411052) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-N'-[(3-methylcyclopentyl)methyl]oxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N'-[(3-methylcyclopentyl)methyl]oxamide
PubChem CID107411052
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-(2-aminoethyl)-N'-[(3-methylcyclopentyl)methyl]oxamide
SMILESCC1CCC(CNC(=O)C(=O)NCCN)C1
InChIInChI=1S/C11H21N3O2/c1-8-2-3-9(6-8)7-14-11(16)10(15)13-5-4-12/h8-9H,2-7,12H2,1H3,(H,13,15)(H,14,16)
InChIKeyFUMVIBNNBWLDHN-UHFFFAOYSA-N
XLogP-0.39
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(3-methylcyclopentyl)methylurea
CID 20542807
1-(aminomethyl)-N-[(3-methylcyclopentyl)methyl]cycloheptane-1-carboxamide
CID 107412357
2-amino-2-methyl-N-[(3-methylcyclopentyl)methyl]propanamide
CID 107413148
N-[(3-methylcyclopentyl)methyl]butanamide
CID 107415486
2-bromo-N-[(3-methylcyclopentyl)methyl]acetamide
CID 107412345
N-(2-aminoethyl)-N'-[(2-methylcyclopentyl)methyl]oxamide
CID 107416399
2,2,2-trifluoro-N-[(3-methylcyclopentyl)methyl]acetamide
CID 107415477
3-[(3-methylcyclopentyl)methylamino]propanamide
CID 107412716
2-methyl-3-(methylamino)-N-[(3-methylcyclopentyl)methyl]propanamide
CID 107413053
3-amino-3-methyl-N-[(3-methylcyclopentyl)methyl]butanamide
CID 107413266
2-fluoro-N-[(3-methylcyclopentyl)methyl]ethanamine
CID 107412907
cis-(1R,3S)-3-[(3-methylcyclopentyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 114173106

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N'-[(3-methylcyclopentyl)methyl]oxamide?
The IUPAC name of N-(2-aminoethyl)-N'-[(3-methylcyclopentyl)methyl]oxamide (CID 107411052) is N-(2-aminoethyl)-N'-[(3-methylcyclopentyl)methyl]oxamide.
What is the SMILES notation for N-(2-aminoethyl)-N'-[(3-methylcyclopentyl)methyl]oxamide?
The canonical SMILES for N-(2-aminoethyl)-N'-[(3-methylcyclopentyl)methyl]oxamide is CC1CCC(CNC(=O)C(=O)NCCN)C1.
What is the InChIKey of N-(2-aminoethyl)-N'-[(3-methylcyclopentyl)methyl]oxamide?
The InChIKey is FUMVIBNNBWLDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-8-2-3-9(6-8)7-14-11(16)10(15)13-5-4-12/h8-9H,2-7,12H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N-(2-aminoethyl)-N'-[(3-methylcyclopentyl)methyl]oxamide?
N-(2-aminoethyl)-N'-[(3-methylcyclopentyl)methyl]oxamide has a molecular weight of 227.31 g/mol, XLogP of -0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N'-[(3-methylcyclopentyl)methyl]oxamide is sourced from PubChem (CID 107411052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).