4-N-cyclopentylcyclohexane-1,4-diamine;dihydrochloride

C11H24Cl2N2 — CID 86277360

IUPAC4-N-cyclopentylcyclohexane-1,4-diamine;dihydrochloride
SMILESCl.Cl.NC1CCC(NC2CCCC2)CC1
InChIInChI=1S/C11H22N2.2ClH/c12-9-5-7-11(8-6-9)13-10-3-1-2-4-10;;/h9-11,13H,1-8,12H2;2*1H
InChIKeyUZPMBNLEWKJACX-UHFFFAOYSA-N
MW255.23 g/mol
LogP2.63
Rot. Bonds2

About 4-N-cyclopentylcyclohexane-1,4-diamine;dihydrochloride

4-N-cyclopentylcyclohexane-1,4-diamine;dihydrochloride (PubChem CID 86277360) has the molecular formula C11H24Cl2N2 and a molecular weight of 255.23 g/mol. Its IUPAC name is 4-N-cyclopentylcyclohexane-1,4-diamine;dihydrochloride.

Molecular Properties

Compound Name4-N-cyclopentylcyclohexane-1,4-diamine;dihydrochloride
PubChem CID86277360
Molecular FormulaC11H24Cl2N2
Molecular Weight255.23 g/mol
Exact Mass254.13
IUPAC Name4-N-cyclopentylcyclohexane-1,4-diamine;dihydrochloride
SMILESCl.Cl.NC1CCC(NC2CCCC2)CC1
InChIInChI=1S/C11H22N2.2ClH/c12-9-5-7-11(8-6-9)13-10-3-1-2-4-10;;/h9-11,13H,1-8,12H2;2*1H
InChIKeyUZPMBNLEWKJACX-UHFFFAOYSA-N
XLogP2.63
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentylcyclohexane-1,4-diamine;dihydrochloride?
The IUPAC name of 4-N-cyclopentylcyclohexane-1,4-diamine;dihydrochloride (CID 86277360) is 4-N-cyclopentylcyclohexane-1,4-diamine;dihydrochloride.
What is the SMILES notation for 4-N-cyclopentylcyclohexane-1,4-diamine;dihydrochloride?
The canonical SMILES for 4-N-cyclopentylcyclohexane-1,4-diamine;dihydrochloride is Cl.Cl.NC1CCC(NC2CCCC2)CC1.
What is the InChIKey of 4-N-cyclopentylcyclohexane-1,4-diamine;dihydrochloride?
The InChIKey is UZPMBNLEWKJACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2.2ClH/c12-9-5-7-11(8-6-9)13-10-3-1-2-4-10;;/h9-11,13H,1-8,12H2;2*1H.
What are the key properties of 4-N-cyclopentylcyclohexane-1,4-diamine;dihydrochloride?
4-N-cyclopentylcyclohexane-1,4-diamine;dihydrochloride has a molecular weight of 255.23 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentylcyclohexane-1,4-diamine;dihydrochloride is sourced from PubChem (CID 86277360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).