1-methylcyclobutane-1,3-diamine;dihydrochloride

C5H14Cl2N2 — CID 135392697

IUPAC1-methylcyclobutane-1,3-diamine;dihydrochloride
SMILESCC1(N)CC(N)C1.Cl.Cl
InChIInChI=1S/C5H12N2.2ClH/c1-5(7)2-4(6)3-5;;/h4H,2-3,6-7H2,1H3;2*1H
InChIKeyDOMJDMGHRXKXQK-UHFFFAOYSA-N
MW173.09 g/mol
LogP0.67
Rot. Bonds

About 1-methylcyclobutane-1,3-diamine;dihydrochloride

1-methylcyclobutane-1,3-diamine;dihydrochloride (PubChem CID 135392697) has the molecular formula C5H14Cl2N2 and a molecular weight of 173.09 g/mol. Its IUPAC name is 1-methylcyclobutane-1,3-diamine;dihydrochloride.

Molecular Properties

Compound Name1-methylcyclobutane-1,3-diamine;dihydrochloride
PubChem CID135392697
Molecular FormulaC5H14Cl2N2
Molecular Weight173.09 g/mol
Exact Mass172.05
IUPAC Name1-methylcyclobutane-1,3-diamine;dihydrochloride
SMILESCC1(N)CC(N)C1.Cl.Cl
InChIInChI=1S/C5H12N2.2ClH/c1-5(7)2-4(6)3-5;;/h4H,2-3,6-7H2,1H3;2*1H
InChIKeyDOMJDMGHRXKXQK-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 1-methylcyclobutane-1,3-diamine;dihydrochloride?
The IUPAC name of 1-methylcyclobutane-1,3-diamine;dihydrochloride (CID 135392697) is 1-methylcyclobutane-1,3-diamine;dihydrochloride.
What is the SMILES notation for 1-methylcyclobutane-1,3-diamine;dihydrochloride?
The canonical SMILES for 1-methylcyclobutane-1,3-diamine;dihydrochloride is CC1(N)CC(N)C1.Cl.Cl.
What is the InChIKey of 1-methylcyclobutane-1,3-diamine;dihydrochloride?
The InChIKey is DOMJDMGHRXKXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2.2ClH/c1-5(7)2-4(6)3-5;;/h4H,2-3,6-7H2,1H3;2*1H.
What are the key properties of 1-methylcyclobutane-1,3-diamine;dihydrochloride?
1-methylcyclobutane-1,3-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 1-methylcyclobutane-1,3-diamine;dihydrochloride is sourced from PubChem (CID 135392697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).