N-[(1-aminocyclobutyl)methyl]-2,2-dichlorocyclopropane-1-carboxamide;hydrochloride

C9H15Cl3N2O — CID 130628525

IUPACN-[(1-aminocyclobutyl)methyl]-2,2-dichlorocyclopropane-1-carboxamide;hydrochloride
SMILESCl.NC1(CNC(=O)C2CC2(Cl)Cl)CCC1
InChIInChI=1S/C9H14Cl2N2O.ClH/c10-9(11)4-6(9)7(14)13-5-8(12)2-1-3-8;/h6H,1-5,12H2,(H,13,14);1H
InChIKeyJBHGMFVJVSEESL-UHFFFAOYSA-N
MW273.59 g/mol
LogP1.60
Rot. Bonds3

About N-[(1-aminocyclobutyl)methyl]-2,2-dichlorocyclopropane-1-carboxamide;hydrochloride

N-[(1-aminocyclobutyl)methyl]-2,2-dichlorocyclopropane-1-carboxamide;hydrochloride (PubChem CID 130628525) has the molecular formula C9H15Cl3N2O and a molecular weight of 273.59 g/mol. Its IUPAC name is N-[(1-aminocyclobutyl)methyl]-2,2-dichlorocyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-aminocyclobutyl)methyl]-2,2-dichlorocyclopropane-1-carboxamide;hydrochloride
PubChem CID130628525
Molecular FormulaC9H15Cl3N2O
Molecular Weight273.59 g/mol
Exact Mass272.02
IUPAC NameN-[(1-aminocyclobutyl)methyl]-2,2-dichlorocyclopropane-1-carboxamide;hydrochloride
SMILESCl.NC1(CNC(=O)C2CC2(Cl)Cl)CCC1
InChIInChI=1S/C9H14Cl2N2O.ClH/c10-9(11)4-6(9)7(14)13-5-8(12)2-1-3-8;/h6H,1-5,12H2,(H,13,14);1H
InChIKeyJBHGMFVJVSEESL-UHFFFAOYSA-N
XLogP1.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.59
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclobutyl)methyl]-2,2-dichlorocyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of N-[(1-aminocyclobutyl)methyl]-2,2-dichlorocyclopropane-1-carboxamide;hydrochloride (CID 130628525) is N-[(1-aminocyclobutyl)methyl]-2,2-dichlorocyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[(1-aminocyclobutyl)methyl]-2,2-dichlorocyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for N-[(1-aminocyclobutyl)methyl]-2,2-dichlorocyclopropane-1-carboxamide;hydrochloride is Cl.NC1(CNC(=O)C2CC2(Cl)Cl)CCC1.
What is the InChIKey of N-[(1-aminocyclobutyl)methyl]-2,2-dichlorocyclopropane-1-carboxamide;hydrochloride?
The InChIKey is JBHGMFVJVSEESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Cl2N2O.ClH/c10-9(11)4-6(9)7(14)13-5-8(12)2-1-3-8;/h6H,1-5,12H2,(H,13,14);1H.
What are the key properties of N-[(1-aminocyclobutyl)methyl]-2,2-dichlorocyclopropane-1-carboxamide;hydrochloride?
N-[(1-aminocyclobutyl)methyl]-2,2-dichlorocyclopropane-1-carboxamide;hydrochloride has a molecular weight of 273.59 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclobutyl)methyl]-2,2-dichlorocyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 130628525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).