cis-(1R,2S)-cyclopentane-1,2-diamine;dihydrochloride

C5H14Cl2N2 — CID 66730598

IUPACcis-(1R,2S)-cyclopentane-1,2-diamine;dihydrochloride
SMILESCl.Cl.N[C@@H]1CCC[C@@H]1N
InChIInChI=1S/C5H12N2.2ClH/c6-4-2-1-3-5(4)7;;/h4-5H,1-3,6-7H2;2*1H/t4-,5+;;
InChIKeyVZCLGIZICFQJBX-QGAATHCOSA-N
MW173.09 g/mol
LogP0.67
Rot. Bonds

About cis-(1R,2S)-cyclopentane-1,2-diamine;dihydrochloride

cis-(1R,2S)-cyclopentane-1,2-diamine;dihydrochloride (PubChem CID 66730598) has the molecular formula C5H14Cl2N2 and a molecular weight of 173.09 g/mol. Its IUPAC name is cis-(1R,2S)-cyclopentane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound Namecis-(1R,2S)-cyclopentane-1,2-diamine;dihydrochloride
PubChem CID66730598
Molecular FormulaC5H14Cl2N2
Molecular Weight173.09 g/mol
Exact Mass172.05
IUPAC Namecis-(1R,2S)-cyclopentane-1,2-diamine;dihydrochloride
SMILESCl.Cl.N[C@@H]1CCC[C@@H]1N
InChIInChI=1S/C5H12N2.2ClH/c6-4-2-1-3-5(4)7;;/h4-5H,1-3,6-7H2;2*1H/t4-,5+;;
InChIKeyVZCLGIZICFQJBX-QGAATHCOSA-N
XLogP0.67
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.09
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cis-(1R,2S)-cyclopentane-1,2-diamine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

platinum;trans-(1R,2R)-cyclopentane-1,2-diamine
CID 87290141
trans-(1S,2S)-cycloundecane-1,2-diamine
CID 139815756
dioxidanium;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine
CID 59971329
cis-(1S,2R)-2-aminocyclopentan-1-ol;hydrochloride
CID 17039404
bis(2-aminocyclopentan-1-ol);dihydrochloride
CID 154776416
cis-(1R,2S)-2-aminocyclopentan-1-ol;cis-(1S,2R)-2-aminocyclopentan-1-ol;dihydrochloride
CID 171920852
trans-(1S,2S)-2-methylcyclopentan-1-amine;hydrochloride
CID 13184369
tetrakis(cis-(1S,2R)-cyclohexane-1,2-diamine);bis(gold(3+));hexachloride;hexahydrate
CID 139176759
chromium(3+);tris(trans-(1S,2S)-cyclohexane-1,2-diamine);trichloride;dihydrate
CID 139198738
ethene;platinum(2+);trans-(1S,2S)-cyclohexane-1,2-diamine;chloride
CID 46224444
cis-(1S,2R)-2-iodocyclopentan-1-amine
CID 90228959
trans-(1S,2S)-2-bromocyclopentan-1-amine
CID 95970386

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-cyclopentane-1,2-diamine;dihydrochloride?
The IUPAC name of cis-(1R,2S)-cyclopentane-1,2-diamine;dihydrochloride (CID 66730598) is cis-(1R,2S)-cyclopentane-1,2-diamine;dihydrochloride.
What is the SMILES notation for cis-(1R,2S)-cyclopentane-1,2-diamine;dihydrochloride?
The canonical SMILES for cis-(1R,2S)-cyclopentane-1,2-diamine;dihydrochloride is Cl.Cl.N[C@@H]1CCC[C@@H]1N.
What is the InChIKey of cis-(1R,2S)-cyclopentane-1,2-diamine;dihydrochloride?
The InChIKey is VZCLGIZICFQJBX-QGAATHCOSA-N. The full InChI is InChI=1S/C5H12N2.2ClH/c6-4-2-1-3-5(4)7;;/h4-5H,1-3,6-7H2;2*1H/t4-,5+;;.
What are the key properties of cis-(1R,2S)-cyclopentane-1,2-diamine;dihydrochloride?
cis-(1R,2S)-cyclopentane-1,2-diamine;dihydrochloride has a molecular weight of 173.09 g/mol, XLogP of 0.67, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-cyclopentane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 66730598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).