3-cyclopentyl-N-[(2S)-2-(dimethylamino)propyl]-2-methylpropanamide

C14H28N2O — CID 122152789

IUPAC3-cyclopentyl-N-[(2S)-2-(dimethylamino)propyl]-2-methylpropanamide
SMILESCC(CC1CCCC1)C(=O)NC[C@H](C)N(C)C
InChIInChI=1S/C14H28N2O/c1-11(9-13-7-5-6-8-13)14(17)15-10-12(2)16(3)4/h11-13H,5-10H2,1-4H3,(H,15,17)/t11?,12-/m0/s1
InChIKeyVDBTUOFEMNBVBZ-KIYNQFGBSA-N
MW240.39 g/mol
LogP2.27
Rot. Bonds6

About 3-cyclopentyl-N-[(2S)-2-(dimethylamino)propyl]-2-methylpropanamide

3-cyclopentyl-N-[(2S)-2-(dimethylamino)propyl]-2-methylpropanamide (PubChem CID 122152789) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-cyclopentyl-N-[(2S)-2-(dimethylamino)propyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[(2S)-2-(dimethylamino)propyl]-2-methylpropanamide
PubChem CID122152789
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-cyclopentyl-N-[(2S)-2-(dimethylamino)propyl]-2-methylpropanamide
SMILESCC(CC1CCCC1)C(=O)NC[C@H](C)N(C)C
InChIInChI=1S/C14H28N2O/c1-11(9-13-7-5-6-8-13)14(17)15-10-12(2)16(3)4/h11-13H,5-10H2,1-4H3,(H,15,17)/t11?,12-/m0/s1
InChIKeyVDBTUOFEMNBVBZ-KIYNQFGBSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2-methylpropyl)-3-cyclohexyl-2-methylpropanamide
CID 119996085
N-(3-aminopropyl)-3-cyclohexyl-2-methylpropanamide
CID 119407411
(2R)-2-[(3-cyclopentyl-2-methylpropanoyl)amino]propanoic acid
CID 103791111
2-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-methylbutanoic acid
CID 119198955
3-cyclopentyl-2-methyl-N-(2-piperazin-1-ylethyl)propanamide
CID 119446426
(2R)-N-[2-(dimethylamino)propyl]piperidine-2-carboxamide
CID 103814112
N-(2-cyclohexylethyl)-3-(ethylamino)-2-methylpropanamide
CID 62853087
N-(1-aminopropan-2-yl)-3-cyclopentyl-N,2-dimethylpropanamide;hydrochloride
CID 119582687
3-cyclopentyl-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-methylpropanamide
CID 111784848
3-cyclopentyl-N-(3-hydroxy-3-phenylpropyl)-2-methylpropanamide
CID 111471964
2-cyclopropyl-2-[2-(dimethylamino)propylcarbamoylamino]acetic acid
CID 62711231
1-cyclopentyl-3-[2-(dimethylamino)propyl]thiourea
CID 116508117

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[(2S)-2-(dimethylamino)propyl]-2-methylpropanamide?
The IUPAC name of 3-cyclopentyl-N-[(2S)-2-(dimethylamino)propyl]-2-methylpropanamide (CID 122152789) is 3-cyclopentyl-N-[(2S)-2-(dimethylamino)propyl]-2-methylpropanamide.
What is the SMILES notation for 3-cyclopentyl-N-[(2S)-2-(dimethylamino)propyl]-2-methylpropanamide?
The canonical SMILES for 3-cyclopentyl-N-[(2S)-2-(dimethylamino)propyl]-2-methylpropanamide is CC(CC1CCCC1)C(=O)NC[C@H](C)N(C)C.
What is the InChIKey of 3-cyclopentyl-N-[(2S)-2-(dimethylamino)propyl]-2-methylpropanamide?
The InChIKey is VDBTUOFEMNBVBZ-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11(9-13-7-5-6-8-13)14(17)15-10-12(2)16(3)4/h11-13H,5-10H2,1-4H3,(H,15,17)/t11?,12-/m0/s1.
What are the key properties of 3-cyclopentyl-N-[(2S)-2-(dimethylamino)propyl]-2-methylpropanamide?
3-cyclopentyl-N-[(2S)-2-(dimethylamino)propyl]-2-methylpropanamide has a molecular weight of 240.39 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[(2S)-2-(dimethylamino)propyl]-2-methylpropanamide is sourced from PubChem (CID 122152789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).