N-[[1-(dimethylamino)cyclohexyl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;dihydrochloride

C14H27Cl2N3O — CID 154912244

IUPACN-[[1-(dimethylamino)cyclohexyl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;dihydrochloride
SMILESCN(C)C1(CNC(=O)C2C=CCN2)CCCCC1.Cl.Cl
InChIInChI=1S/C14H25N3O.2ClH/c1-17(2)14(8-4-3-5-9-14)11-16-13(18)12-7-6-10-15-12;;/h6-7,12,15H,3-5,8-11H2,1-2H3,(H,16,18);2*1H
InChIKeyOBPFRIRUAQHORV-UHFFFAOYSA-N
MW324.30 g/mol
LogP1.74
Rot. Bonds4

About N-[[1-(dimethylamino)cyclohexyl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;dihydrochloride

N-[[1-(dimethylamino)cyclohexyl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;dihydrochloride (PubChem CID 154912244) has the molecular formula C14H27Cl2N3O and a molecular weight of 324.30 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclohexyl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclohexyl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;dihydrochloride
PubChem CID154912244
Molecular FormulaC14H27Cl2N3O
Molecular Weight324.30 g/mol
Exact Mass323.15
IUPAC NameN-[[1-(dimethylamino)cyclohexyl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;dihydrochloride
SMILESCN(C)C1(CNC(=O)C2C=CCN2)CCCCC1.Cl.Cl
InChIInChI=1S/C14H25N3O.2ClH/c1-17(2)14(8-4-3-5-9-14)11-16-13(18)12-7-6-10-15-12;;/h6-7,12,15H,3-5,8-11H2,1-2H3,(H,16,18);2*1H
InChIKeyOBPFRIRUAQHORV-UHFFFAOYSA-N
XLogP1.74
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[[1-(dimethylamino)cyclohexyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119682228
6-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 83108655
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 122565189
N-[[1-(dimethylamino)cyclohexyl]methyl]-4-methylpyrrolidine-3-carboxamide
CID 55231312
(1S,6R)-6-[[1-(dimethylamino)cyclobutyl]methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 105414269
6-[[1-(dimethylamino)cyclobutyl]methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 105414256
5-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl]oxolane-2-carboxylic acid
CID 102688874
(3S)-N-[[1-(dimethylamino)cyclohexyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 94441040
N-[[1-(dimethylamino)cyclohexyl]methyl]-4-fluorobenzamide;hydrochloride
CID 21409921
N-[[1-(dimethylamino)cyclobutyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 105417283
(3R,4S)-N-[[1-(dimethylamino)cyclohexyl]methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120918491
N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetamide
CID 46813310

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;dihydrochloride?
The IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;dihydrochloride (CID 154912244) is N-[[1-(dimethylamino)cyclohexyl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[[1-(dimethylamino)cyclohexyl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[[1-(dimethylamino)cyclohexyl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;dihydrochloride is CN(C)C1(CNC(=O)C2C=CCN2)CCCCC1.Cl.Cl.
What is the InChIKey of N-[[1-(dimethylamino)cyclohexyl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;dihydrochloride?
The InChIKey is OBPFRIRUAQHORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O.2ClH/c1-17(2)14(8-4-3-5-9-14)11-16-13(18)12-7-6-10-15-12;;/h6-7,12,15H,3-5,8-11H2,1-2H3,(H,16,18);2*1H.
What are the key properties of N-[[1-(dimethylamino)cyclohexyl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;dihydrochloride?
N-[[1-(dimethylamino)cyclohexyl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;dihydrochloride has a molecular weight of 324.30 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclohexyl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;dihydrochloride is sourced from PubChem (CID 154912244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).