N-[1-(chloromethyl)cyclopentyl]cycloheptanamine

C13H24ClN — CID 82937078

IUPACN-[1-(chloromethyl)cyclopentyl]cycloheptanamine
SMILESClCC1(NC2CCCCCC2)CCCC1
InChIInChI=1S/C13H24ClN/c14-11-13(9-5-6-10-13)15-12-7-3-1-2-4-8-12/h12,15H,1-11H2
InChIKeyIPRDVEYIMFHTEN-UHFFFAOYSA-N
MW229.79 g/mol
LogP3.85
Rot. Bonds3

About N-[1-(chloromethyl)cyclopentyl]cycloheptanamine

N-[1-(chloromethyl)cyclopentyl]cycloheptanamine (PubChem CID 82937078) has the molecular formula C13H24ClN and a molecular weight of 229.79 g/mol. Its IUPAC name is N-[1-(chloromethyl)cyclopentyl]cycloheptanamine.

Molecular Properties

Compound NameN-[1-(chloromethyl)cyclopentyl]cycloheptanamine
PubChem CID82937078
Molecular FormulaC13H24ClN
Molecular Weight229.79 g/mol
Exact Mass229.16
IUPAC NameN-[1-(chloromethyl)cyclopentyl]cycloheptanamine
SMILESClCC1(NC2CCCCCC2)CCCC1
InChIInChI=1S/C13H24ClN/c14-11-13(9-5-6-10-13)15-12-7-3-1-2-4-8-12/h12,15H,1-11H2
InChIKeyIPRDVEYIMFHTEN-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.79
LogP ≤ 53.85
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-[1-(chloromethyl)cyclopentyl]cycloheptanamine?
The IUPAC name of N-[1-(chloromethyl)cyclopentyl]cycloheptanamine (CID 82937078) is N-[1-(chloromethyl)cyclopentyl]cycloheptanamine.
What is the SMILES notation for N-[1-(chloromethyl)cyclopentyl]cycloheptanamine?
The canonical SMILES for N-[1-(chloromethyl)cyclopentyl]cycloheptanamine is ClCC1(NC2CCCCCC2)CCCC1.
What is the InChIKey of N-[1-(chloromethyl)cyclopentyl]cycloheptanamine?
The InChIKey is IPRDVEYIMFHTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN/c14-11-13(9-5-6-10-13)15-12-7-3-1-2-4-8-12/h12,15H,1-11H2.
What are the key properties of N-[1-(chloromethyl)cyclopentyl]cycloheptanamine?
N-[1-(chloromethyl)cyclopentyl]cycloheptanamine has a molecular weight of 229.79 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)cyclopentyl]cycloheptanamine is sourced from PubChem (CID 82937078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).