N-[2-[[(1S,2R)-2-methylcyclopentyl]amino]ethyl]cyclopropanecarboxamide

C12H22N2O — CID 97357851

IUPACN-[2-[[(1S,2R)-2-methylcyclopentyl]amino]ethyl]cyclopropanecarboxamide
SMILESC[C@@H]1CCC[C@@H]1NCCNC(=O)C1CC1
InChIInChI=1S/C12H22N2O/c1-9-3-2-4-11(9)13-7-8-14-12(15)10-5-6-10/h9-11,13H,2-8H2,1H3,(H,14,15)/t9-,11+/m1/s1
InChIKeyUEPDHNLVAYGWJJ-KOLCDFICSA-N
MW210.32 g/mol
LogP1.29
Rot. Bonds5

About N-[2-[[(1S,2R)-2-methylcyclopentyl]amino]ethyl]cyclopropanecarboxamide

N-[2-[[(1S,2R)-2-methylcyclopentyl]amino]ethyl]cyclopropanecarboxamide (PubChem CID 97357851) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-[2-[[(1S,2R)-2-methylcyclopentyl]amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[[(1S,2R)-2-methylcyclopentyl]amino]ethyl]cyclopropanecarboxamide
PubChem CID97357851
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-[2-[[(1S,2R)-2-methylcyclopentyl]amino]ethyl]cyclopropanecarboxamide
SMILESC[C@@H]1CCC[C@@H]1NCCNC(=O)C1CC1
InChIInChI=1S/C12H22N2O/c1-9-3-2-4-11(9)13-7-8-14-12(15)10-5-6-10/h9-11,13H,2-8H2,1H3,(H,14,15)/t9-,11+/m1/s1
InChIKeyUEPDHNLVAYGWJJ-KOLCDFICSA-N
XLogP1.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-methylcyclopentyl)amino]ethyl]acetamide
CID 65046344
N-[2-[(2-cyanocyclopentyl)amino]ethyl]cyclopropanecarboxamide
CID 115903603
N-[2-(methylamino)ethyl]cyclobutanecarboxamide
CID 62659847
5-[(2-methylcyclopentyl)amino]pentanoic acid
CID 103251309
N-[2-[[(1S,3R)-3-methylcyclopentyl]amino]ethyl]cyclopropanecarboxamide
CID 97357833
ethanol;2-methyl-N-propylcyclopentan-1-amine
CID 89249243
trans-(1R,2R)-2-methyl-N-(2-piperidin-1-ylethyl)cyclopentan-1-amine
CID 96923223
N-[2-(cycloheptylamino)ethyl]-2-methylcyclopentane-1-carboxamide
CID 107181007
N,N-dimethyl-4-[(2-methylcyclopentyl)amino]butanamide
CID 63278012
N-[2-(methylcarbamoylamino)ethyl]cyclopropanecarboxamide
CID 115575200
N-[2-(cyclopropanecarbonylamino)ethyl]azepane-1-carboxamide
CID 113223981
N-[2-(propylamino)ethyl]cyclobutanecarboxamide
CID 62658991

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1S,2R)-2-methylcyclopentyl]amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[[(1S,2R)-2-methylcyclopentyl]amino]ethyl]cyclopropanecarboxamide (CID 97357851) is N-[2-[[(1S,2R)-2-methylcyclopentyl]amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[[(1S,2R)-2-methylcyclopentyl]amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[[(1S,2R)-2-methylcyclopentyl]amino]ethyl]cyclopropanecarboxamide is C[C@@H]1CCC[C@@H]1NCCNC(=O)C1CC1.
What is the InChIKey of N-[2-[[(1S,2R)-2-methylcyclopentyl]amino]ethyl]cyclopropanecarboxamide?
The InChIKey is UEPDHNLVAYGWJJ-KOLCDFICSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9-3-2-4-11(9)13-7-8-14-12(15)10-5-6-10/h9-11,13H,2-8H2,1H3,(H,14,15)/t9-,11+/m1/s1.
What are the key properties of N-[2-[[(1S,2R)-2-methylcyclopentyl]amino]ethyl]cyclopropanecarboxamide?
N-[2-[[(1S,2R)-2-methylcyclopentyl]amino]ethyl]cyclopropanecarboxamide has a molecular weight of 210.32 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1S,2R)-2-methylcyclopentyl]amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 97357851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).