3-(3,4-dimethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide

C16H31N3O — CID 79641656

IUPAC3-(3,4-dimethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
SMILESCCCNC1(C(N)=O)CCCC(N2CC(C)C(C)C2)C1
InChIInChI=1S/C16H31N3O/c1-4-8-18-16(15(17)20)7-5-6-14(9-16)19-10-12(2)13(3)11-19/h12-14,18H,4-11H2,1-3H3,(H2,17,20)
InChIKeyHGAYXBCDSLBLJX-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.74
Rot. Bonds5

About 3-(3,4-dimethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide

3-(3,4-dimethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide (PubChem CID 79641656) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-(3,4-dimethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(3,4-dimethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
PubChem CID79641656
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name3-(3,4-dimethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
SMILESCCCNC1(C(N)=O)CCCC(N2CC(C)C(C)C2)C1
InChIInChI=1S/C16H31N3O/c1-4-8-18-16(15(17)20)7-5-6-14(9-16)19-10-12(2)13(3)11-19/h12-14,18H,4-11H2,1-3H3,(H2,17,20)
InChIKeyHGAYXBCDSLBLJX-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azocan-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79628661
3-(4-ethylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79626289
3-(3,4-dimethylpyrrolidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide
CID 79641394
3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(propylamino)cyclohexane-1-carboxamide
CID 79628730
3-(2-methylazepan-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79633722
3-(2-ethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79636030
3-(2-ethylpiperidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79626937
3-(3,4-dimethoxypyrrolidin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide
CID 103538166
3-(4-cyclopropylpiperazin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide
CID 79628200
3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79637454
3-(dipropylamino)-1-(propylamino)cyclohexane-1-carboxamide
CID 79636670
ethyl 3-piperidin-1-yl-1-(propylamino)cyclohexane-1-carboxylate
CID 79628675

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide?
The IUPAC name of 3-(3,4-dimethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide (CID 79641656) is 3-(3,4-dimethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-(3,4-dimethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 3-(3,4-dimethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide is CCCNC1(C(N)=O)CCCC(N2CC(C)C(C)C2)C1.
What is the InChIKey of 3-(3,4-dimethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide?
The InChIKey is HGAYXBCDSLBLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-4-8-18-16(15(17)20)7-5-6-14(9-16)19-10-12(2)13(3)11-19/h12-14,18H,4-11H2,1-3H3,(H2,17,20).
What are the key properties of 3-(3,4-dimethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide?
3-(3,4-dimethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 79641656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).