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

C4H12Cl2N2 — CID 155904461

IUPACcis-(1R,2S)-cyclobutane-1,2-diamine;dihydrochloride
SMILESCl.Cl.N[C@@H]1CC[C@@H]1N
InChIInChI=1S/C4H10N2.2ClH/c5-3-1-2-4(3)6;;/h3-4H,1-2,5-6H2;2*1H/t3-,4+;;
InChIKeyWCRFHIPWMCQOPF-NDXJVULZSA-N
MW159.06 g/mol
LogP0.28
Rot. Bonds

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

cis-(1R,2S)-cyclobutane-1,2-diamine;dihydrochloride (PubChem CID 155904461) has the molecular formula C4H12Cl2N2 and a molecular weight of 159.06 g/mol. Its IUPAC name is cis-(1R,2S)-cyclobutane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound Namecis-(1R,2S)-cyclobutane-1,2-diamine;dihydrochloride
PubChem CID155904461
Molecular FormulaC4H12Cl2N2
Molecular Weight159.06 g/mol
Exact Mass158.04
IUPAC Namecis-(1R,2S)-cyclobutane-1,2-diamine;dihydrochloride
SMILESCl.Cl.N[C@@H]1CC[C@@H]1N
InChIInChI=1S/C4H10N2.2ClH/c5-3-1-2-4(3)6;;/h3-4H,1-2,5-6H2;2*1H/t3-,4+;;
InChIKeyWCRFHIPWMCQOPF-NDXJVULZSA-N
XLogP0.28
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.06
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-cyclobutane-1,2-diamine;dihydrochloride?
The IUPAC name of cis-(1R,2S)-cyclobutane-1,2-diamine;dihydrochloride (CID 155904461) is cis-(1R,2S)-cyclobutane-1,2-diamine;dihydrochloride.
What is the SMILES notation for cis-(1R,2S)-cyclobutane-1,2-diamine;dihydrochloride?
The canonical SMILES for cis-(1R,2S)-cyclobutane-1,2-diamine;dihydrochloride is Cl.Cl.N[C@@H]1CC[C@@H]1N.
What is the InChIKey of cis-(1R,2S)-cyclobutane-1,2-diamine;dihydrochloride?
The InChIKey is WCRFHIPWMCQOPF-NDXJVULZSA-N. The full InChI is InChI=1S/C4H10N2.2ClH/c5-3-1-2-4(3)6;;/h3-4H,1-2,5-6H2;2*1H/t3-,4+;;.
What are the key properties of cis-(1R,2S)-cyclobutane-1,2-diamine;dihydrochloride?
cis-(1R,2S)-cyclobutane-1,2-diamine;dihydrochloride has a molecular weight of 159.06 g/mol, XLogP of 0.28, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-cyclobutane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 155904461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).