1-(ethylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide

C15H29N3O2 — CID 79641984

IUPAC1-(ethylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide
SMILESCCNC1(C(N)=O)CCCC(N2CCC(COC)C2)C1
InChIInChI=1S/C15H29N3O2/c1-3-17-15(14(16)19)7-4-5-13(9-15)18-8-6-12(10-18)11-20-2/h12-13,17H,3-11H2,1-2H3,(H2,16,19)
InChIKeyLJGOJEYRCMTYCR-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.73
Rot. Bonds6

About 1-(ethylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide

1-(ethylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide (PubChem CID 79641984) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(ethylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(ethylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide
PubChem CID79641984
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name1-(ethylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide
SMILESCCNC1(C(N)=O)CCCC(N2CCC(COC)C2)C1
InChIInChI=1S/C15H29N3O2/c1-3-17-15(14(16)19)7-4-5-13(9-15)18-8-6-12(10-18)11-20-2/h12-13,17H,3-11H2,1-2H3,(H2,16,19)
InChIKeyLJGOJEYRCMTYCR-UHFFFAOYSA-N
XLogP0.73
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-cyclopropylpiperazin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide
CID 79628200
1-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide
CID 79641851
3-(3,4-dimethoxypyrrolidin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide
CID 103538166
1-(ethylamino)-3-[3-(methoxymethyl)piperidin-1-yl]cyclopentane-1-carboxylic acid
CID 106588655
[1-(ethylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexyl]methanol
CID 79640319
3-[3-(methoxymethyl)piperidin-1-yl]-1-(methylamino)cyclopentane-1-carboxamide
CID 106588660
1-(ethylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclopentane-1-carboxamide
CID 79644633
methyl 1-(ethylamino)-3-(3-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate
CID 79641407
1-amino-3-[4-(methoxymethyl)piperidin-1-yl]cyclohexane-1-carboxamide
CID 79642191
3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(propylamino)cyclohexane-1-carboxamide
CID 79628730
methyl 3-(azocan-1-yl)-1-(ethylamino)cyclohexane-1-carboxylate
CID 79628664
1-(ethylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)cyclopentane-1-carboxamide
CID 79651425

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(ethylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide (CID 79641984) is 1-(ethylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(ethylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(ethylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide is CCNC1(C(N)=O)CCCC(N2CCC(COC)C2)C1.
What is the InChIKey of 1-(ethylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide?
The InChIKey is LJGOJEYRCMTYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-3-17-15(14(16)19)7-4-5-13(9-15)18-8-6-12(10-18)11-20-2/h12-13,17H,3-11H2,1-2H3,(H2,16,19).
What are the key properties of 1-(ethylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide?
1-(ethylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide has a molecular weight of 283.42 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 79641984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).