1-[3-(2-aminoethyl)cyclohexanecarbonyl]pyrrolidine-2-carboxamide

C14H25N3O2 — CID 62806919

IUPAC1-[3-(2-aminoethyl)cyclohexanecarbonyl]pyrrolidine-2-carboxamide
SMILESNCCC1CCCC(C(=O)N2CCCC2C(N)=O)C1
InChIInChI=1S/C14H25N3O2/c15-7-6-10-3-1-4-11(9-10)14(19)17-8-2-5-12(17)13(16)18/h10-12H,1-9,15H2,(H2,16,18)
InChIKeyOUUFLKXHYWZLDH-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.62
Rot. Bonds4

About 1-[3-(2-aminoethyl)cyclohexanecarbonyl]pyrrolidine-2-carboxamide

1-[3-(2-aminoethyl)cyclohexanecarbonyl]pyrrolidine-2-carboxamide (PubChem CID 62806919) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[3-(2-aminoethyl)cyclohexanecarbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[3-(2-aminoethyl)cyclohexanecarbonyl]pyrrolidine-2-carboxamide
PubChem CID62806919
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-[3-(2-aminoethyl)cyclohexanecarbonyl]pyrrolidine-2-carboxamide
SMILESNCCC1CCCC(C(=O)N2CCCC2C(N)=O)C1
InChIInChI=1S/C14H25N3O2/c15-7-6-10-3-1-4-11(9-10)14(19)17-8-2-5-12(17)13(16)18/h10-12H,1-9,15H2,(H2,16,18)
InChIKeyOUUFLKXHYWZLDH-UHFFFAOYSA-N
XLogP0.62
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-aminoethyl)cyclohexyl]-(2-ethylazepan-1-yl)methanone
CID 104692568
[3-(2-aminoethyl)cyclohexyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 55115174
2-[1-[3-(2-aminoethyl)cyclohexanecarbonyl]piperidin-4-yl]acetamide
CID 62807118
4-[3-(aminomethyl)cyclohexanecarbonyl]morpholine-3-carboxamide
CID 83095299
1-(3-aminocyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
CID 55148085
[3-(2-aminoethyl)cyclohexyl]-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107226614
[3-(2-aminoethyl)piperidin-1-yl]-cyclobutylmethanone
CID 63766706
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;hydrochloride
CID 175720359
[3-(2-aminoethyl)cyclohexyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63161750
1-(3-aminocyclohexanecarbonyl)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 119728127
1-(2-cyclopropylacetyl)pyrrolidine-2-carboxamide
CID 89120166
(2R)-1-propanoylpyrrolidine-2-carboxamide
CID 92979578

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminoethyl)cyclohexanecarbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[3-(2-aminoethyl)cyclohexanecarbonyl]pyrrolidine-2-carboxamide (CID 62806919) is 1-[3-(2-aminoethyl)cyclohexanecarbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[3-(2-aminoethyl)cyclohexanecarbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[3-(2-aminoethyl)cyclohexanecarbonyl]pyrrolidine-2-carboxamide is NCCC1CCCC(C(=O)N2CCCC2C(N)=O)C1.
What is the InChIKey of 1-[3-(2-aminoethyl)cyclohexanecarbonyl]pyrrolidine-2-carboxamide?
The InChIKey is OUUFLKXHYWZLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c15-7-6-10-3-1-4-11(9-10)14(19)17-8-2-5-12(17)13(16)18/h10-12H,1-9,15H2,(H2,16,18).
What are the key properties of 1-[3-(2-aminoethyl)cyclohexanecarbonyl]pyrrolidine-2-carboxamide?
1-[3-(2-aminoethyl)cyclohexanecarbonyl]pyrrolidine-2-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminoethyl)cyclohexanecarbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 62806919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).