3-(4,4-dimethylazepan-1-yl)-1-(propylamino)cyclopentane-1-carboxylic acid

C17H32N2O2 — CID 79645417

IUPAC3-(4,4-dimethylazepan-1-yl)-1-(propylamino)cyclopentane-1-carboxylic acid
SMILESCCCNC1(C(=O)O)CCC(N2CCCC(C)(C)CC2)C1
InChIInChI=1S/C17H32N2O2/c1-4-10-18-17(15(20)21)8-6-14(13-17)19-11-5-7-16(2,3)9-12-19/h14,18H,4-13H2,1-3H3,(H,20,21)
InChIKeyAIIYETDRDHHTRC-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.87
Rot. Bonds5

About 3-(4,4-dimethylazepan-1-yl)-1-(propylamino)cyclopentane-1-carboxylic acid

3-(4,4-dimethylazepan-1-yl)-1-(propylamino)cyclopentane-1-carboxylic acid (PubChem CID 79645417) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 3-(4,4-dimethylazepan-1-yl)-1-(propylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(4,4-dimethylazepan-1-yl)-1-(propylamino)cyclopentane-1-carboxylic acid
PubChem CID79645417
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name3-(4,4-dimethylazepan-1-yl)-1-(propylamino)cyclopentane-1-carboxylic acid
SMILESCCCNC1(C(=O)O)CCC(N2CCCC(C)(C)CC2)C1
InChIInChI=1S/C17H32N2O2/c1-4-10-18-17(15(20)21)8-6-14(13-17)19-11-5-7-16(2,3)9-12-19/h14,18H,4-13H2,1-3H3,(H,20,21)
InChIKeyAIIYETDRDHHTRC-UHFFFAOYSA-N
XLogP2.87
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79651554
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(propylamino)cyclopentane-1-carboxylic acid
CID 82753519
3-(2,2-dimethylmorpholin-4-yl)-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79655710
3-(1-oxo-1,4-thiazinan-4-yl)-1-(propylamino)cyclohexane-1-carboxylic acid
CID 79642295
3-(3,4-dimethoxypyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carboxylic acid
CID 103538142
1-cyclopropyl-3-(propylamino)pyrrolidine-3-carboxylic acid
CID 62976763
1-amino-3-(4,4-dimethylazepan-1-yl)cyclopentane-1-carboxylic acid
CID 79651230
3-(azocan-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79628661
1-(ethylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 79651051
ethyl 3-piperidin-1-yl-1-(propylamino)cyclohexane-1-carboxylate
CID 79628675
1-(methylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 79650086
3-(dipropylamino)-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79650503

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethylazepan-1-yl)-1-(propylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(4,4-dimethylazepan-1-yl)-1-(propylamino)cyclopentane-1-carboxylic acid (CID 79645417) is 3-(4,4-dimethylazepan-1-yl)-1-(propylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(4,4-dimethylazepan-1-yl)-1-(propylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(4,4-dimethylazepan-1-yl)-1-(propylamino)cyclopentane-1-carboxylic acid is CCCNC1(C(=O)O)CCC(N2CCCC(C)(C)CC2)C1.
What is the InChIKey of 3-(4,4-dimethylazepan-1-yl)-1-(propylamino)cyclopentane-1-carboxylic acid?
The InChIKey is AIIYETDRDHHTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-4-10-18-17(15(20)21)8-6-14(13-17)19-11-5-7-16(2,3)9-12-19/h14,18H,4-13H2,1-3H3,(H,20,21).
What are the key properties of 3-(4,4-dimethylazepan-1-yl)-1-(propylamino)cyclopentane-1-carboxylic acid?
3-(4,4-dimethylazepan-1-yl)-1-(propylamino)cyclopentane-1-carboxylic acid has a molecular weight of 296.45 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethylazepan-1-yl)-1-(propylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79645417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).