3-(3,4-dimethoxypyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile

C15H27N3O2 — CID 103537832

IUPAC3-(3,4-dimethoxypyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
SMILESCCCNC1(C#N)CCC(N2CC(OC)C(OC)C2)C1
InChIInChI=1S/C15H27N3O2/c1-4-7-17-15(11-16)6-5-12(8-15)18-9-13(19-2)14(10-18)20-3/h12-14,17H,4-10H2,1-3H3
InChIKeyQNLQUBDORJGZSP-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.15
Rot. Bonds6

About 3-(3,4-dimethoxypyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile

3-(3,4-dimethoxypyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile (PubChem CID 103537832) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-(3,4-dimethoxypyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-(3,4-dimethoxypyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
PubChem CID103537832
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name3-(3,4-dimethoxypyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
SMILESCCCNC1(C#N)CCC(N2CC(OC)C(OC)C2)C1
InChIInChI=1S/C15H27N3O2/c1-4-7-17-15(11-16)6-5-12(8-15)18-9-13(19-2)14(10-18)20-3/h12-14,17H,4-10H2,1-3H3
InChIKeyQNLQUBDORJGZSP-UHFFFAOYSA-N
XLogP1.15
TPSA57.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclopropylamino)-3-(3,4-dimethoxypyrrolidin-1-yl)cyclopentane-1-carbonitrile
CID 103537863
3-(3-ethoxypiperidin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639773
3-(4-butan-2-ylpiperazin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639447
3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79627197
3-(3,4-dimethoxypyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carboxylic acid
CID 103538142
1-(propylamino)-3-(2,3,5-trimethylpiperidin-1-yl)cyclopentane-1-carbonitrile
CID 114596275
3-methyl-1-(propylamino)cyclopentane-1-carbonitrile
CID 64500336
3-(3-methylpiperidin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79625038
3-(2-propan-2-ylimidazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 79638589
3-(3,4-dimethylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79625356
3-(3,5-diethylpyrazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 82694843
3-(4-bromopyrazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639796

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxypyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 3-(3,4-dimethoxypyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile (CID 103537832) is 3-(3,4-dimethoxypyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-(3,4-dimethoxypyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-(3,4-dimethoxypyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile is CCCNC1(C#N)CCC(N2CC(OC)C(OC)C2)C1.
What is the InChIKey of 3-(3,4-dimethoxypyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile?
The InChIKey is QNLQUBDORJGZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-4-7-17-15(11-16)6-5-12(8-15)18-9-13(19-2)14(10-18)20-3/h12-14,17H,4-10H2,1-3H3.
What are the key properties of 3-(3,4-dimethoxypyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile?
3-(3,4-dimethoxypyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile has a molecular weight of 281.40 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxypyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 103537832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).