spiro[3.3]heptane-2,6-diamine;dihydrochloride

C7H16Cl2N2 — CID 43810934

IUPACspiro[3.3]heptane-2,6-diamine;dihydrochloride
SMILESCl.Cl.NC1CC2(C1)CC(N)C2
InChIInChI=1S/C7H14N2.2ClH/c8-5-1-7(2-5)3-6(9)4-7;;/h5-6H,1-4,8-9H2;2*1H
InChIKeyLEEAKLAUQJIGMJ-UHFFFAOYSA-N
MW199.12 g/mol
LogP1.06
Rot. Bonds

About spiro[3.3]heptane-2,6-diamine;dihydrochloride

spiro[3.3]heptane-2,6-diamine;dihydrochloride (PubChem CID 43810934) has the molecular formula C7H16Cl2N2 and a molecular weight of 199.12 g/mol. Its IUPAC name is spiro[3.3]heptane-2,6-diamine;dihydrochloride.

Molecular Properties

Compound Namespiro[3.3]heptane-2,6-diamine;dihydrochloride
PubChem CID43810934
Molecular FormulaC7H16Cl2N2
Molecular Weight199.12 g/mol
Exact Mass198.07
IUPAC Namespiro[3.3]heptane-2,6-diamine;dihydrochloride
SMILESCl.Cl.NC1CC2(C1)CC(N)C2
InChIInChI=1S/C7H14N2.2ClH/c8-5-1-7(2-5)3-6(9)4-7;;/h5-6H,1-4,8-9H2;2*1H
InChIKeyLEEAKLAUQJIGMJ-UHFFFAOYSA-N
XLogP1.06
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.12
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[3.3]heptane-2,6-diamine;dihydrochloride?
The IUPAC name of spiro[3.3]heptane-2,6-diamine;dihydrochloride (CID 43810934) is spiro[3.3]heptane-2,6-diamine;dihydrochloride.
What is the SMILES notation for spiro[3.3]heptane-2,6-diamine;dihydrochloride?
The canonical SMILES for spiro[3.3]heptane-2,6-diamine;dihydrochloride is Cl.Cl.NC1CC2(C1)CC(N)C2.
What is the InChIKey of spiro[3.3]heptane-2,6-diamine;dihydrochloride?
The InChIKey is LEEAKLAUQJIGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.2ClH/c8-5-1-7(2-5)3-6(9)4-7;;/h5-6H,1-4,8-9H2;2*1H.
What are the key properties of spiro[3.3]heptane-2,6-diamine;dihydrochloride?
spiro[3.3]heptane-2,6-diamine;dihydrochloride has a molecular weight of 199.12 g/mol, XLogP of 1.06, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3.3]heptane-2,6-diamine;dihydrochloride is sourced from PubChem (CID 43810934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).