bicyclo[3.1.1]heptane-1,5-diamine;dihydrochloride

C7H16Cl2N2 — CID 131886465

IUPACbicyclo[3.1.1]heptane-1,5-diamine;dihydrochloride
SMILESCl.Cl.NC12CCCC(N)(C1)C2
InChIInChI=1S/C7H14N2.2ClH/c8-6-2-1-3-7(9,4-6)5-6;;/h1-5,8-9H2;2*1H
InChIKeyATVHMPXATDIGFE-UHFFFAOYSA-N
MW199.12 g/mol
LogP1.20
Rot. Bonds

About bicyclo[3.1.1]heptane-1,5-diamine;dihydrochloride

bicyclo[3.1.1]heptane-1,5-diamine;dihydrochloride (PubChem CID 131886465) has the molecular formula C7H16Cl2N2 and a molecular weight of 199.12 g/mol. Its IUPAC name is bicyclo[3.1.1]heptane-1,5-diamine;dihydrochloride.

Molecular Properties

Compound Namebicyclo[3.1.1]heptane-1,5-diamine;dihydrochloride
PubChem CID131886465
Molecular FormulaC7H16Cl2N2
Molecular Weight199.12 g/mol
Exact Mass198.07
IUPAC Namebicyclo[3.1.1]heptane-1,5-diamine;dihydrochloride
SMILESCl.Cl.NC12CCCC(N)(C1)C2
InChIInChI=1S/C7H14N2.2ClH/c8-6-2-1-3-7(9,4-6)5-6;;/h1-5,8-9H2;2*1H
InChIKeyATVHMPXATDIGFE-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-aminocyclobutan-1-ol;hydrochloride
CID 135146045
1-methylcyclobutan-1-amine;hydrochloride
CID 18332449
cyclopropane-1,1-diamine;hydrochloride
CID 141361875
ethyl (1S,5R)-5-aminobicyclo[3.2.1]octane-1-carboxylate
CID 124637713
5-amino-3-methylbicyclo[3.3.1]nonan-1-ol
CID 123310303
piperidine-2,2,6,6-tetramine
CID 158380817
3-methylbicyclo[1.1.1]pentan-1-amine;hydrochloride
CID 86010396
9-azabicyclo[3.3.1]nonane-1,5-diamine
CID 147344899
formic acid;1-methylcyclobutan-1-amine;hydrochloride
CID 175593564
2-aminospiro[3.3]heptane-2-carbonitrile
CID 131553755
3-cycloheptylbicyclo[1.1.1]pentan-1-amine;hydrochloride
CID 165485494
(8R)-bicyclo[6.4.1]tridecan-1-amine
CID 146325535

Frequently Asked Questions

What is the IUPAC name of bicyclo[3.1.1]heptane-1,5-diamine;dihydrochloride?
The IUPAC name of bicyclo[3.1.1]heptane-1,5-diamine;dihydrochloride (CID 131886465) is bicyclo[3.1.1]heptane-1,5-diamine;dihydrochloride.
What is the SMILES notation for bicyclo[3.1.1]heptane-1,5-diamine;dihydrochloride?
The canonical SMILES for bicyclo[3.1.1]heptane-1,5-diamine;dihydrochloride is Cl.Cl.NC12CCCC(N)(C1)C2.
What is the InChIKey of bicyclo[3.1.1]heptane-1,5-diamine;dihydrochloride?
The InChIKey is ATVHMPXATDIGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.2ClH/c8-6-2-1-3-7(9,4-6)5-6;;/h1-5,8-9H2;2*1H.
What are the key properties of bicyclo[3.1.1]heptane-1,5-diamine;dihydrochloride?
bicyclo[3.1.1]heptane-1,5-diamine;dihydrochloride has a molecular weight of 199.12 g/mol, XLogP of 1.20, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.1.1]heptane-1,5-diamine;dihydrochloride is sourced from PubChem (CID 131886465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).