[(1S,2R)-2-(aminomethyl)cyclobutyl]methanamine;dihydrochloride

C6H16Cl2N2 — CID 156595142

IUPAC[(1S,2R)-2-(aminomethyl)cyclobutyl]methanamine;dihydrochloride
SMILESCl.Cl.NC[C@@H]1CC[C@@H]1CN
InChIInChI=1S/C6H14N2.2ClH/c7-3-5-1-2-6(5)4-8;;/h5-6H,1-4,7-8H2;2*1H/t5-,6+;;
InChIKeyFCZGUISVPWFFBE-RUTFAPCESA-N
MW187.11 g/mol
LogP0.77
Rot. Bonds2

About [(1S,2R)-2-(aminomethyl)cyclobutyl]methanamine;dihydrochloride

[(1S,2R)-2-(aminomethyl)cyclobutyl]methanamine;dihydrochloride (PubChem CID 156595142) has the molecular formula C6H16Cl2N2 and a molecular weight of 187.11 g/mol. Its IUPAC name is [(1S,2R)-2-(aminomethyl)cyclobutyl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[(1S,2R)-2-(aminomethyl)cyclobutyl]methanamine;dihydrochloride
PubChem CID156595142
Molecular FormulaC6H16Cl2N2
Molecular Weight187.11 g/mol
Exact Mass186.07
IUPAC Name[(1S,2R)-2-(aminomethyl)cyclobutyl]methanamine;dihydrochloride
SMILESCl.Cl.NC[C@@H]1CC[C@@H]1CN
InChIInChI=1S/C6H14N2.2ClH/c7-3-5-1-2-6(5)4-8;;/h5-6H,1-4,7-8H2;2*1H/t5-,6+;;
InChIKeyFCZGUISVPWFFBE-RUTFAPCESA-N
XLogP0.77
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.11
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-(aminomethyl)cyclobutyl]methanamine;dihydrochloride?
The IUPAC name of [(1S,2R)-2-(aminomethyl)cyclobutyl]methanamine;dihydrochloride (CID 156595142) is [(1S,2R)-2-(aminomethyl)cyclobutyl]methanamine;dihydrochloride.
What is the SMILES notation for [(1S,2R)-2-(aminomethyl)cyclobutyl]methanamine;dihydrochloride?
The canonical SMILES for [(1S,2R)-2-(aminomethyl)cyclobutyl]methanamine;dihydrochloride is Cl.Cl.NC[C@@H]1CC[C@@H]1CN.
What is the InChIKey of [(1S,2R)-2-(aminomethyl)cyclobutyl]methanamine;dihydrochloride?
The InChIKey is FCZGUISVPWFFBE-RUTFAPCESA-N. The full InChI is InChI=1S/C6H14N2.2ClH/c7-3-5-1-2-6(5)4-8;;/h5-6H,1-4,7-8H2;2*1H/t5-,6+;;.
What are the key properties of [(1S,2R)-2-(aminomethyl)cyclobutyl]methanamine;dihydrochloride?
[(1S,2R)-2-(aminomethyl)cyclobutyl]methanamine;dihydrochloride has a molecular weight of 187.11 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-(aminomethyl)cyclobutyl]methanamine;dihydrochloride is sourced from PubChem (CID 156595142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).