N-[(2,2-dichlorocyclopropyl)methyl]-2,5-dimethylcyclopentan-1-amine

C11H19Cl2N — CID 130667432

IUPACN-[(2,2-dichlorocyclopropyl)methyl]-2,5-dimethylcyclopentan-1-amine
SMILESCC1CCC(C)C1NCC1CC1(Cl)Cl
InChIInChI=1S/C11H19Cl2N/c1-7-3-4-8(2)10(7)14-6-9-5-11(9,12)13/h7-10,14H,3-6H2,1-2H3
InChIKeyJBAZUBLDWLQLDE-UHFFFAOYSA-N
MW236.19 g/mol
LogP3.20
Rot. Bonds3

About N-[(2,2-dichlorocyclopropyl)methyl]-2,5-dimethylcyclopentan-1-amine

N-[(2,2-dichlorocyclopropyl)methyl]-2,5-dimethylcyclopentan-1-amine (PubChem CID 130667432) has the molecular formula C11H19Cl2N and a molecular weight of 236.19 g/mol. Its IUPAC name is N-[(2,2-dichlorocyclopropyl)methyl]-2,5-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(2,2-dichlorocyclopropyl)methyl]-2,5-dimethylcyclopentan-1-amine
PubChem CID130667432
Molecular FormulaC11H19Cl2N
Molecular Weight236.19 g/mol
Exact Mass235.09
IUPAC NameN-[(2,2-dichlorocyclopropyl)methyl]-2,5-dimethylcyclopentan-1-amine
SMILESCC1CCC(C)C1NCC1CC1(Cl)Cl
InChIInChI=1S/C11H19Cl2N/c1-7-3-4-8(2)10(7)14-6-9-5-11(9,12)13/h7-10,14H,3-6H2,1-2H3
InChIKeyJBAZUBLDWLQLDE-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-[(2,2-dichlorocyclopropyl)methyl]-2,5-dimethylcyclopentan-1-amine?
The IUPAC name of N-[(2,2-dichlorocyclopropyl)methyl]-2,5-dimethylcyclopentan-1-amine (CID 130667432) is N-[(2,2-dichlorocyclopropyl)methyl]-2,5-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[(2,2-dichlorocyclopropyl)methyl]-2,5-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[(2,2-dichlorocyclopropyl)methyl]-2,5-dimethylcyclopentan-1-amine is CC1CCC(C)C1NCC1CC1(Cl)Cl.
What is the InChIKey of N-[(2,2-dichlorocyclopropyl)methyl]-2,5-dimethylcyclopentan-1-amine?
The InChIKey is JBAZUBLDWLQLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19Cl2N/c1-7-3-4-8(2)10(7)14-6-9-5-11(9,12)13/h7-10,14H,3-6H2,1-2H3.
What are the key properties of N-[(2,2-dichlorocyclopropyl)methyl]-2,5-dimethylcyclopentan-1-amine?
N-[(2,2-dichlorocyclopropyl)methyl]-2,5-dimethylcyclopentan-1-amine has a molecular weight of 236.19 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dichlorocyclopropyl)methyl]-2,5-dimethylcyclopentan-1-amine is sourced from PubChem (CID 130667432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).