1-amino-N-(1-benzyl-5-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide;dihydrochloride

C16H25Cl2N3O — CID 119895468

IUPAC1-amino-N-(1-benzyl-5-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide;dihydrochloride
SMILESCC1CC(NC(=O)C2(N)CC2)CN1Cc1ccccc1.Cl.Cl
InChIInChI=1S/C16H23N3O.2ClH/c1-12-9-14(18-15(20)16(17)7-8-16)11-19(12)10-13-5-3-2-4-6-13;;/h2-6,12,14H,7-11,17H2,1H3,(H,18,20);2*1H
InChIKeyXYSFROWIIJNYAR-UHFFFAOYSA-N
MW346.30 g/mol
LogP2.10
Rot. Bonds4

About 1-amino-N-(1-benzyl-5-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide;dihydrochloride

1-amino-N-(1-benzyl-5-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide;dihydrochloride (PubChem CID 119895468) has the molecular formula C16H25Cl2N3O and a molecular weight of 346.30 g/mol. Its IUPAC name is 1-amino-N-(1-benzyl-5-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-(1-benzyl-5-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide;dihydrochloride
PubChem CID119895468
Molecular FormulaC16H25Cl2N3O
Molecular Weight346.30 g/mol
Exact Mass345.14
IUPAC Name1-amino-N-(1-benzyl-5-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide;dihydrochloride
SMILESCC1CC(NC(=O)C2(N)CC2)CN1Cc1ccccc1.Cl.Cl
InChIInChI=1S/C16H23N3O.2ClH/c1-12-9-14(18-15(20)16(17)7-8-16)11-19(12)10-13-5-3-2-4-6-13;;/h2-6,12,14H,7-11,17H2,1H3,(H,18,20);2*1H
InChIKeyXYSFROWIIJNYAR-UHFFFAOYSA-N
XLogP2.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.30
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119895498
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CID 124652969
N-(1-benzyl-5-methylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide
CID 130914121
N-(1-benzyl-5-methylpyrrolidin-3-yl)-2-(methylamino)acetamide
CID 120705010
1-amino-N-(1-benzylpiperidin-4-yl)cyclopropane-1-carboxamide;dihydrochloride
CID 119827542
N-(1-benzyl-5-methylpyrrolidin-3-yl)-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119895540
1-(1-benzyl-5-methylpyrrolidin-3-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea
CID 154736083
(2S,4S)-N-[(3R,5R)-1-benzyl-5-methylpyrrolidin-3-yl]-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 124618152
N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119895524
1-benzyl-6-methylpiperidine-3,4-diol
CID 6421584
(2S,4S)-1-benzyl-4-chloro-2-methylpyrrolidine
CID 101162371
(2R,4S)-1-benzyl-4-chloro-2-methylpyrrolidine
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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(1-benzyl-5-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-(1-benzyl-5-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide;dihydrochloride (CID 119895468) is 1-amino-N-(1-benzyl-5-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-(1-benzyl-5-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-(1-benzyl-5-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide;dihydrochloride is CC1CC(NC(=O)C2(N)CC2)CN1Cc1ccccc1.Cl.Cl.
What is the InChIKey of 1-amino-N-(1-benzyl-5-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide;dihydrochloride?
The InChIKey is XYSFROWIIJNYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O.2ClH/c1-12-9-14(18-15(20)16(17)7-8-16)11-19(12)10-13-5-3-2-4-6-13;;/h2-6,12,14H,7-11,17H2,1H3,(H,18,20);2*1H.
What are the key properties of 1-amino-N-(1-benzyl-5-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide;dihydrochloride?
1-amino-N-(1-benzyl-5-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide;dihydrochloride has a molecular weight of 346.30 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(1-benzyl-5-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119895468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).