4-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-3-yl)cyclohexane-1-carboxamide

C14H23N3O — CID 115151099

IUPAC4-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-3-yl)cyclohexane-1-carboxamide
SMILESCN(C(=O)C1CCC(CCN)CC1)c1cc[nH]c1
InChIInChI=1S/C14H23N3O/c1-17(13-7-9-16-10-13)14(18)12-4-2-11(3-5-12)6-8-15/h7,9-12,16H,2-6,8,15H2,1H3
InChIKeyLBVVHFGSFJEYNG-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.13
Rot. Bonds4

About 4-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-3-yl)cyclohexane-1-carboxamide

4-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-3-yl)cyclohexane-1-carboxamide (PubChem CID 115151099) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-3-yl)cyclohexane-1-carboxamide
PubChem CID115151099
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-3-yl)cyclohexane-1-carboxamide
SMILESCN(C(=O)C1CCC(CCN)CC1)c1cc[nH]c1
InChIInChI=1S/C14H23N3O/c1-17(13-7-9-16-10-13)14(18)12-4-2-11(3-5-12)6-8-15/h7,9-12,16H,2-6,8,15H2,1H3
InChIKeyLBVVHFGSFJEYNG-UHFFFAOYSA-N
XLogP2.13
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-3-yl)cyclohexane-1-carboxamide (CID 115151099) is 4-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-3-yl)cyclohexane-1-carboxamide is CN(C(=O)C1CCC(CCN)CC1)c1cc[nH]c1.
What is the InChIKey of 4-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-3-yl)cyclohexane-1-carboxamide?
The InChIKey is LBVVHFGSFJEYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-17(13-7-9-16-10-13)14(18)12-4-2-11(3-5-12)6-8-15/h7,9-12,16H,2-6,8,15H2,1H3.
What are the key properties of 4-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-3-yl)cyclohexane-1-carboxamide?
4-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-3-yl)cyclohexane-1-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115151099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).