2-[[(1R)-1-cyclopentylethyl]amino]-N-prop-2-ynylpropanamide

C13H22N2O — CID 81388842

IUPAC2-[[(1R)-1-cyclopentylethyl]amino]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)N[C@H](C)C1CCCC1
InChIInChI=1S/C13H22N2O/c1-4-9-14-13(16)11(3)15-10(2)12-7-5-6-8-12/h1,10-12,15H,5-9H2,2-3H3,(H,14,16)/t10-,11?/m1/s1
InChIKeyJQQSITFNECTTPE-NFJWQWPMSA-N
MW222.33 g/mol
LogP1.29
Rot. Bonds5

About 2-[[(1R)-1-cyclopentylethyl]amino]-N-prop-2-ynylpropanamide

2-[[(1R)-1-cyclopentylethyl]amino]-N-prop-2-ynylpropanamide (PubChem CID 81388842) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-[[(1R)-1-cyclopentylethyl]amino]-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-[[(1R)-1-cyclopentylethyl]amino]-N-prop-2-ynylpropanamide
PubChem CID81388842
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-[[(1R)-1-cyclopentylethyl]amino]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)N[C@H](C)C1CCCC1
InChIInChI=1S/C13H22N2O/c1-4-9-14-13(16)11(3)15-10(2)12-7-5-6-8-12/h1,10-12,15H,5-9H2,2-3H3,(H,14,16)/t10-,11?/m1/s1
InChIKeyJQQSITFNECTTPE-NFJWQWPMSA-N
XLogP1.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[(1S)-1-cyclopentylethyl]amino]-N-prop-2-ynylpropanamide
CID 81395795
2-[[(1R)-1-cyclopentylethyl]amino]-N-(2-methylpropyl)propanamide
CID 81393775
2-[[(1R)-1-cyclohexylethyl]amino]-N-(2-methylpropyl)propanamide
CID 81385143
2-[[(1R)-1-cycloheptylethyl]amino]-N-pentylpropanamide
CID 81392391
2-[[(1S)-1-cyclohexylethyl]amino]-N-(2-methoxyethyl)propanamide
CID 81384699
2-(1-cyclohexylethylamino)-N-pentan-3-ylpropanamide
CID 62405918
N-cyclohexyl-2-[[(1S)-1-cyclohexylethyl]amino]propanamide
CID 81384329
N-cyclohexyl-2-[[(1R)-1-cyclohexylethyl]amino]propanamide
CID 81384882
2-[[(1S)-1-cyclohexylethyl]amino]-N-methylpropanamide
CID 81384429
2-(1-cyclohexylethylamino)-N-cyclopropylpropanamide
CID 62405745
2-[[(1S)-1-cyclopentylethyl]amino]-N-(3-methoxypropyl)propanamide
CID 81395208
2-[[(1R)-1-cyclopentylethyl]amino]-N-(3-methoxypropyl)propanamide
CID 81394890

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-cyclopentylethyl]amino]-N-prop-2-ynylpropanamide?
The IUPAC name of 2-[[(1R)-1-cyclopentylethyl]amino]-N-prop-2-ynylpropanamide (CID 81388842) is 2-[[(1R)-1-cyclopentylethyl]amino]-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-[[(1R)-1-cyclopentylethyl]amino]-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-[[(1R)-1-cyclopentylethyl]amino]-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)N[C@H](C)C1CCCC1.
What is the InChIKey of 2-[[(1R)-1-cyclopentylethyl]amino]-N-prop-2-ynylpropanamide?
The InChIKey is JQQSITFNECTTPE-NFJWQWPMSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-9-14-13(16)11(3)15-10(2)12-7-5-6-8-12/h1,10-12,15H,5-9H2,2-3H3,(H,14,16)/t10-,11?/m1/s1.
What are the key properties of 2-[[(1R)-1-cyclopentylethyl]amino]-N-prop-2-ynylpropanamide?
2-[[(1R)-1-cyclopentylethyl]amino]-N-prop-2-ynylpropanamide has a molecular weight of 222.33 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 2-[[(1R)-1-cyclopentylethyl]amino]-N-prop-2-ynylpropanamide is sourced from PubChem (CID 81388842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).