cycloheptane-1,4-diamine;dihydrochloride

C7H18Cl2N2 — CID 146050266

IUPACcycloheptane-1,4-diamine;dihydrochloride
SMILESCl.Cl.NC1CCCC(N)CC1
InChIInChI=1S/C7H16N2.2ClH/c8-6-2-1-3-7(9)5-4-6;;/h6-7H,1-5,8-9H2;2*1H
InChIKeySJXASROMNRCXNI-UHFFFAOYSA-N
MW201.14 g/mol
LogP1.45
Rot. Bonds

About cycloheptane-1,4-diamine;dihydrochloride

cycloheptane-1,4-diamine;dihydrochloride (PubChem CID 146050266) has the molecular formula C7H18Cl2N2 and a molecular weight of 201.14 g/mol. Its IUPAC name is cycloheptane-1,4-diamine;dihydrochloride.

Molecular Properties

Compound Namecycloheptane-1,4-diamine;dihydrochloride
PubChem CID146050266
Molecular FormulaC7H18Cl2N2
Molecular Weight201.14 g/mol
Exact Mass200.08
IUPAC Namecycloheptane-1,4-diamine;dihydrochloride
SMILESCl.Cl.NC1CCCC(N)CC1
InChIInChI=1S/C7H16N2.2ClH/c8-6-2-1-3-7(9)5-4-6;;/h6-7H,1-5,8-9H2;2*1H
InChIKeySJXASROMNRCXNI-UHFFFAOYSA-N
XLogP1.45
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cycloheptane-1,4-diamine;dihydrochloride?
The IUPAC name of cycloheptane-1,4-diamine;dihydrochloride (CID 146050266) is cycloheptane-1,4-diamine;dihydrochloride.
What is the SMILES notation for cycloheptane-1,4-diamine;dihydrochloride?
The canonical SMILES for cycloheptane-1,4-diamine;dihydrochloride is Cl.Cl.NC1CCCC(N)CC1.
What is the InChIKey of cycloheptane-1,4-diamine;dihydrochloride?
The InChIKey is SJXASROMNRCXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.2ClH/c8-6-2-1-3-7(9)5-4-6;;/h6-7H,1-5,8-9H2;2*1H.
What are the key properties of cycloheptane-1,4-diamine;dihydrochloride?
cycloheptane-1,4-diamine;dihydrochloride has a molecular weight of 201.14 g/mol, XLogP of 1.45, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptane-1,4-diamine;dihydrochloride is sourced from PubChem (CID 146050266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).