2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclopentane-1-carboxamide;dihydrochloride

C14H29Cl2N3O — CID 119882077

IUPAC2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclopentane-1-carboxamide;dihydrochloride
SMILESCCN1CCCC1CN(C)C(=O)C1CCCC1N.Cl.Cl
InChIInChI=1S/C14H27N3O.2ClH/c1-3-17-9-5-6-11(17)10-16(2)14(18)12-7-4-8-13(12)15;;/h11-13H,3-10,15H2,1-2H3;2*1H
InChIKeyORVLQSRZITYVPA-UHFFFAOYSA-N
MW326.31 g/mol
LogP1.90
Rot. Bonds4

About 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclopentane-1-carboxamide;dihydrochloride

2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119882077) has the molecular formula C14H29Cl2N3O and a molecular weight of 326.31 g/mol. Its IUPAC name is 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclopentane-1-carboxamide;dihydrochloride
PubChem CID119882077
Molecular FormulaC14H29Cl2N3O
Molecular Weight326.31 g/mol
Exact Mass325.17
IUPAC Name2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclopentane-1-carboxamide;dihydrochloride
SMILESCCN1CCCC1CN(C)C(=O)C1CCCC1N.Cl.Cl
InChIInChI=1S/C14H27N3O.2ClH/c1-3-17-9-5-6-11(17)10-16(2)14(18)12-7-4-8-13(12)15;;/h11-13H,3-10,15H2,1-2H3;2*1H
InChIKeyORVLQSRZITYVPA-UHFFFAOYSA-N
XLogP1.90
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylcyclohexane-1-carboxamide
CID 79312799
trans-(1R,3R)-3-amino-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide
CID 124671626
4-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79313305
(2S,5R)-5-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyloxolane-2-carboxamide;dihydrochloride
CID 120800269
N-[(1-ethylpyrrolidin-2-yl)methyl]-N,6-dimethylpiperidine-2-carboxamide
CID 79319501
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrolidine-1-carboxamide
CID 113248160
N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 79312453
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidine-2-carboxamide
CID 79313592
1-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclobutane-1-carboxamide
CID 81169352
2-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide
CID 107905439
(2-aminocyclopentyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 64824655
3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide
CID 79313879

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclopentane-1-carboxamide;dihydrochloride (CID 119882077) is 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclopentane-1-carboxamide;dihydrochloride is CCN1CCCC1CN(C)C(=O)C1CCCC1N.Cl.Cl.
What is the InChIKey of 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is ORVLQSRZITYVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O.2ClH/c1-3-17-9-5-6-11(17)10-16(2)14(18)12-7-4-8-13(12)15;;/h11-13H,3-10,15H2,1-2H3;2*1H.
What are the key properties of 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclopentane-1-carboxamide;dihydrochloride?
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 326.31 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119882077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).