3-amino-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]butanamide;dihydrochloride

C12H27Cl2N3O2 — CID 119874866

IUPAC3-amino-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]butanamide;dihydrochloride
SMILESCOCCN1CCCC1CNC(=O)CC(C)N.Cl.Cl
InChIInChI=1S/C12H25N3O2.2ClH/c1-10(13)8-12(16)14-9-11-4-3-5-15(11)6-7-17-2;;/h10-11H,3-9,13H2,1-2H3,(H,14,16);2*1H
InChIKeyBVCKBUCBSXDEIV-UHFFFAOYSA-N
MW316.27 g/mol
LogP0.79
Rot. Bonds7

About 3-amino-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]butanamide;dihydrochloride

3-amino-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]butanamide;dihydrochloride (PubChem CID 119874866) has the molecular formula C12H27Cl2N3O2 and a molecular weight of 316.27 g/mol. Its IUPAC name is 3-amino-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]butanamide;dihydrochloride
PubChem CID119874866
Molecular FormulaC12H27Cl2N3O2
Molecular Weight316.27 g/mol
Exact Mass315.15
IUPAC Name3-amino-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]butanamide;dihydrochloride
SMILESCOCCN1CCCC1CNC(=O)CC(C)N.Cl.Cl
InChIInChI=1S/C12H25N3O2.2ClH/c1-10(13)8-12(16)14-9-11-4-3-5-15(11)6-7-17-2;;/h10-11H,3-9,13H2,1-2H3,(H,14,16);2*1H
InChIKeyBVCKBUCBSXDEIV-UHFFFAOYSA-N
XLogP0.79
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methoxy-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]butanamide;dihydrochloride
CID 120596410
2-(1-hydroxycyclopentyl)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]acetamide
CID 111430877
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119874871
3-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]butanamide
CID 119888709
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pyrrolidine-2-carboxamide
CID 119874861
1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 111178748
2-(3-fluorophenyl)-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]acetamide
CID 95296221
2-amino-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-phenylpropanamide
CID 120596413
tert-butyl N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]carbamate
CID 60606736
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxypentanamide
CID 81080945
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119952665
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pentan-3-amine
CID 115716465

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]butanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]butanamide;dihydrochloride (CID 119874866) is 3-amino-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]butanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]butanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]butanamide;dihydrochloride is COCCN1CCCC1CNC(=O)CC(C)N.Cl.Cl.
What is the InChIKey of 3-amino-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]butanamide;dihydrochloride?
The InChIKey is BVCKBUCBSXDEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2.2ClH/c1-10(13)8-12(16)14-9-11-4-3-5-15(11)6-7-17-2;;/h10-11H,3-9,13H2,1-2H3,(H,14,16);2*1H.
What are the key properties of 3-amino-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]butanamide;dihydrochloride?
3-amino-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]butanamide;dihydrochloride has a molecular weight of 316.27 g/mol, XLogP of 0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]butanamide;dihydrochloride is sourced from PubChem (CID 119874866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).