1-[4-(ethylamino)cyclohexyl]-N-methylpyrrolidine-2-carboxamide

C14H27N3O — CID 114763026

IUPAC1-[4-(ethylamino)cyclohexyl]-N-methylpyrrolidine-2-carboxamide
SMILESCCNC1CCC(N2CCCC2C(=O)NC)CC1
InChIInChI=1S/C14H27N3O/c1-3-16-11-6-8-12(9-7-11)17-10-4-5-13(17)14(18)15-2/h11-13,16H,3-10H2,1-2H3,(H,15,18)
InChIKeyPIDOFOQWLOSCSX-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.12
Rot. Bonds4

About 1-[4-(ethylamino)cyclohexyl]-N-methylpyrrolidine-2-carboxamide

1-[4-(ethylamino)cyclohexyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 114763026) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-[4-(ethylamino)cyclohexyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[4-(ethylamino)cyclohexyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID114763026
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-[4-(ethylamino)cyclohexyl]-N-methylpyrrolidine-2-carboxamide
SMILESCCNC1CCC(N2CCCC2C(=O)NC)CC1
InChIInChI=1S/C14H27N3O/c1-3-16-11-6-8-12(9-7-11)17-10-4-5-13(17)14(18)15-2/h11-13,16H,3-10H2,1-2H3,(H,15,18)
InChIKeyPIDOFOQWLOSCSX-UHFFFAOYSA-N
XLogP1.12
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[4-(propylamino)cyclohexyl]pyrrolidine-2-carboxamide
CID 114763027
1-cyclobutyl-N-methylpyrrolidine-2-carboxamide
CID 126990833
1-(4-hydroxycyclohexyl)-N-methylpyrrolidine-2-carboxamide
CID 114762479
N-methyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 118534964
(2S)-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 93446902
4-[(2R)-2-(methylcarbamoyl)piperidin-1-yl]piperidine-1-carboxylic acid
CID 118295136
1-[2-(cyclopentylamino)acetyl]-N-methylpyrrolidine-2-carboxamide
CID 60952576
(2R)-N-methyl-1-propylpyrrolidine-2-carboxamide
CID 142459881
N-ethyl-3-(2-methylpyrrolidin-1-yl)cyclopentan-1-amine
CID 79644126
methyl (2S)-1-cycloheptylpyrrolidine-2-carboxylate;propane
CID 178021629
1-butanoyl-N-methylpyrrolidine-2-carboxamide
CID 61060939
1-(2-amino-2-methylbutanoyl)-N-methylpyrrolidine-2-carboxamide
CID 79805766

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylamino)cyclohexyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[4-(ethylamino)cyclohexyl]-N-methylpyrrolidine-2-carboxamide (CID 114763026) is 1-[4-(ethylamino)cyclohexyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[4-(ethylamino)cyclohexyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[4-(ethylamino)cyclohexyl]-N-methylpyrrolidine-2-carboxamide is CCNC1CCC(N2CCCC2C(=O)NC)CC1.
What is the InChIKey of 1-[4-(ethylamino)cyclohexyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is PIDOFOQWLOSCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-3-16-11-6-8-12(9-7-11)17-10-4-5-13(17)14(18)15-2/h11-13,16H,3-10H2,1-2H3,(H,15,18).
What are the key properties of 1-[4-(ethylamino)cyclohexyl]-N-methylpyrrolidine-2-carboxamide?
1-[4-(ethylamino)cyclohexyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 253.39 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylamino)cyclohexyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 114763026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).