3-(cyclopentylmethylamino)-N,N-diethylpropanamide

C13H26N2O — CID 62069829

IUPAC3-(cyclopentylmethylamino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNCC1CCCC1
InChIInChI=1S/C13H26N2O/c1-3-15(4-2)13(16)9-10-14-11-12-7-5-6-8-12/h12,14H,3-11H2,1-2H3
InChIKeyKDLANDYGFKEVAY-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.02
Rot. Bonds7

About 3-(cyclopentylmethylamino)-N,N-diethylpropanamide

3-(cyclopentylmethylamino)-N,N-diethylpropanamide (PubChem CID 62069829) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-(cyclopentylmethylamino)-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-(cyclopentylmethylamino)-N,N-diethylpropanamide
PubChem CID62069829
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-(cyclopentylmethylamino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNCC1CCCC1
InChIInChI=1S/C13H26N2O/c1-3-15(4-2)13(16)9-10-14-11-12-7-5-6-8-12/h12,14H,3-11H2,1-2H3
InChIKeyKDLANDYGFKEVAY-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-3-[(1-methylpiperidin-3-yl)methylamino]propanamide
CID 62658117
2-(cycloheptylmethylamino)-N,N-diethylacetamide
CID 113253458
N,N-diethyl-3-(oxan-2-ylmethylamino)propanamide
CID 113225012
N,N-diethyl-3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propanamide
CID 102897771
3-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]-N,N-diethylpropanamide
CID 112685323
4-(cyclobutylmethylamino)butan-2-one
CID 115235753
3-[(4-aminocyclohexyl)amino]-N,N-diethylpropanamide
CID 79731374
N-cyclopentyl-N-ethyl-3-(ethylamino)propanamide
CID 62831926
2-(cycloheptylmethylamino)-N-ethyl-N-methylacetamide
CID 104923486
3-(1-cyclopropylpropan-2-ylamino)-N,N-diethylpropanamide
CID 115710436
N,N-diethyl-3-(2-ethylsulfonylethylamino)propanamide
CID 112695679
N,N-diethyl-3-(heptylamino)propanamide
CID 54936007

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethylamino)-N,N-diethylpropanamide?
The IUPAC name of 3-(cyclopentylmethylamino)-N,N-diethylpropanamide (CID 62069829) is 3-(cyclopentylmethylamino)-N,N-diethylpropanamide.
What is the SMILES notation for 3-(cyclopentylmethylamino)-N,N-diethylpropanamide?
The canonical SMILES for 3-(cyclopentylmethylamino)-N,N-diethylpropanamide is CCN(CC)C(=O)CCNCC1CCCC1.
What is the InChIKey of 3-(cyclopentylmethylamino)-N,N-diethylpropanamide?
The InChIKey is KDLANDYGFKEVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-15(4-2)13(16)9-10-14-11-12-7-5-6-8-12/h12,14H,3-11H2,1-2H3.
What are the key properties of 3-(cyclopentylmethylamino)-N,N-diethylpropanamide?
3-(cyclopentylmethylamino)-N,N-diethylpropanamide has a molecular weight of 226.36 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethylamino)-N,N-diethylpropanamide is sourced from PubChem (CID 62069829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).