1-[2-cyclopentyl-2-(propylamino)ethyl]-N,N-diethylpyrrolidin-3-amine

C18H37N3 — CID 104746159

IUPAC1-[2-cyclopentyl-2-(propylamino)ethyl]-N,N-diethylpyrrolidin-3-amine
SMILESCCCNC(CN1CCC(N(CC)CC)C1)C1CCCC1
InChIInChI=1S/C18H37N3/c1-4-12-19-18(16-9-7-8-10-16)15-20-13-11-17(14-20)21(5-2)6-3/h16-19H,4-15H2,1-3H3
InChIKeyVBIRXBFTILHAPF-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.96
Rot. Bonds9

About 1-[2-cyclopentyl-2-(propylamino)ethyl]-N,N-diethylpyrrolidin-3-amine

1-[2-cyclopentyl-2-(propylamino)ethyl]-N,N-diethylpyrrolidin-3-amine (PubChem CID 104746159) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is 1-[2-cyclopentyl-2-(propylamino)ethyl]-N,N-diethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-cyclopentyl-2-(propylamino)ethyl]-N,N-diethylpyrrolidin-3-amine
PubChem CID104746159
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC Name1-[2-cyclopentyl-2-(propylamino)ethyl]-N,N-diethylpyrrolidin-3-amine
SMILESCCCNC(CN1CCC(N(CC)CC)C1)C1CCCC1
InChIInChI=1S/C18H37N3/c1-4-12-19-18(16-9-7-8-10-16)15-20-13-11-17(14-20)21(5-2)6-3/h16-19H,4-15H2,1-3H3
InChIKeyVBIRXBFTILHAPF-UHFFFAOYSA-N
XLogP2.96
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-cyclohexyl-2-(ethylamino)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 104746160
N-[1-cyclopropyl-2-(3-methylpiperidin-1-yl)ethyl]propan-1-amine
CID 63915143
N-[1-cyclopentyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]propan-1-amine
CID 104746508
N,N-diethyl-1-[3-methoxy-2-(propylamino)propyl]pyrrolidin-3-amine
CID 107505722
N-[1-cyclopentyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]propan-1-amine
CID 104746643
N,N-diethyl-1-[3-(propylamino)butyl]pyrrolidin-3-amine
CID 63169385
1-[2-cyclohexyl-2-(ethylamino)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 104746151
N-[1-cyclopentyl-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]propan-1-amine
CID 104958375
N,N-diethyl-1-[2-(ethylamino)pentyl]pyrrolidin-3-amine
CID 55160900
N-[1-cyclopropyl-2-(4-ethoxypiperidin-1-yl)ethyl]propan-1-amine
CID 63914310
ethyl 3-[3-(diethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)propanoate
CID 63165603
1-[2-cyclopentyl-2-(ethylamino)ethyl]-N,N-dimethylpiperidin-4-amine
CID 104744906

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclopentyl-2-(propylamino)ethyl]-N,N-diethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-cyclopentyl-2-(propylamino)ethyl]-N,N-diethylpyrrolidin-3-amine (CID 104746159) is 1-[2-cyclopentyl-2-(propylamino)ethyl]-N,N-diethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-cyclopentyl-2-(propylamino)ethyl]-N,N-diethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-cyclopentyl-2-(propylamino)ethyl]-N,N-diethylpyrrolidin-3-amine is CCCNC(CN1CCC(N(CC)CC)C1)C1CCCC1.
What is the InChIKey of 1-[2-cyclopentyl-2-(propylamino)ethyl]-N,N-diethylpyrrolidin-3-amine?
The InChIKey is VBIRXBFTILHAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-4-12-19-18(16-9-7-8-10-16)15-20-13-11-17(14-20)21(5-2)6-3/h16-19H,4-15H2,1-3H3.
What are the key properties of 1-[2-cyclopentyl-2-(propylamino)ethyl]-N,N-diethylpyrrolidin-3-amine?
1-[2-cyclopentyl-2-(propylamino)ethyl]-N,N-diethylpyrrolidin-3-amine has a molecular weight of 295.51 g/mol, XLogP of 2.96, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclopentyl-2-(propylamino)ethyl]-N,N-diethylpyrrolidin-3-amine is sourced from PubChem (CID 104746159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).