1-amino-N-[[3-[(dimethylamino)methyl]phenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride

C14H23Cl2N3O — CID 119842475

IUPAC1-amino-N-[[3-[(dimethylamino)methyl]phenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride
SMILESCN(C)Cc1cccc(CNC(=O)C2(N)CC2)c1.Cl.Cl
InChIInChI=1S/C14H21N3O.2ClH/c1-17(2)10-12-5-3-4-11(8-12)9-16-13(18)14(15)6-7-14;;/h3-5,8H,6-7,9-10,15H2,1-2H3,(H,16,18);2*1H
InChIKeyHOWCDVUWKLHVKQ-UHFFFAOYSA-N
MW320.26 g/mol
LogP1.70
Rot. Bonds5

About 1-amino-N-[[3-[(dimethylamino)methyl]phenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride

1-amino-N-[[3-[(dimethylamino)methyl]phenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride (PubChem CID 119842475) has the molecular formula C14H23Cl2N3O and a molecular weight of 320.26 g/mol. Its IUPAC name is 1-amino-N-[[3-[(dimethylamino)methyl]phenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[[3-[(dimethylamino)methyl]phenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride
PubChem CID119842475
Molecular FormulaC14H23Cl2N3O
Molecular Weight320.26 g/mol
Exact Mass319.12
IUPAC Name1-amino-N-[[3-[(dimethylamino)methyl]phenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride
SMILESCN(C)Cc1cccc(CNC(=O)C2(N)CC2)c1.Cl.Cl
InChIInChI=1S/C14H21N3O.2ClH/c1-17(2)10-12-5-3-4-11(8-12)9-16-13(18)14(15)6-7-14;;/h3-5,8H,6-7,9-10,15H2,1-2H3,(H,16,18);2*1H
InChIKeyHOWCDVUWKLHVKQ-UHFFFAOYSA-N
XLogP1.70
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.26
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 107218429
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1-amino-N-[[3-[[butyl(ethyl)amino]methyl]phenyl]methyl]cyclopentane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[3-[(dimethylamino)methyl]phenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[[3-[(dimethylamino)methyl]phenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride (CID 119842475) is 1-amino-N-[[3-[(dimethylamino)methyl]phenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[[3-[(dimethylamino)methyl]phenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[[3-[(dimethylamino)methyl]phenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride is CN(C)Cc1cccc(CNC(=O)C2(N)CC2)c1.Cl.Cl.
What is the InChIKey of 1-amino-N-[[3-[(dimethylamino)methyl]phenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride?
The InChIKey is HOWCDVUWKLHVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O.2ClH/c1-17(2)10-12-5-3-4-11(8-12)9-16-13(18)14(15)6-7-14;;/h3-5,8H,6-7,9-10,15H2,1-2H3,(H,16,18);2*1H.
What are the key properties of 1-amino-N-[[3-[(dimethylamino)methyl]phenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride?
1-amino-N-[[3-[(dimethylamino)methyl]phenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride has a molecular weight of 320.26 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[3-[(dimethylamino)methyl]phenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119842475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).