formic acid;1-methylcyclobutan-1-amine;hydrochloride

C6H14ClNO2 — CID 175593564

IUPACformic acid;1-methylcyclobutan-1-amine;hydrochloride
SMILESCC1(N)CCC1.Cl.O=CO
InChIInChI=1S/C5H11N.CH2O2.ClH/c1-5(6)3-2-4-5;2-1-3;/h2-4,6H2,1H3;1H,(H,2,3);1H
InChIKeyJIQMPEOMCPQRIL-UHFFFAOYSA-N
MW167.64 g/mol
LogP1.01
Rot. Bonds

About formic acid;1-methylcyclobutan-1-amine;hydrochloride

formic acid;1-methylcyclobutan-1-amine;hydrochloride (PubChem CID 175593564) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is formic acid;1-methylcyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Nameformic acid;1-methylcyclobutan-1-amine;hydrochloride
PubChem CID175593564
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Nameformic acid;1-methylcyclobutan-1-amine;hydrochloride
SMILESCC1(N)CCC1.Cl.O=CO
InChIInChI=1S/C5H11N.CH2O2.ClH/c1-5(6)3-2-4-5;2-1-3;/h2-4,6H2,1H3;1H,(H,2,3);1H
InChIKeyJIQMPEOMCPQRIL-UHFFFAOYSA-N
XLogP1.01
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formic acid;1-methylcyclobutan-1-amine;hydrochloride?
The IUPAC name of formic acid;1-methylcyclobutan-1-amine;hydrochloride (CID 175593564) is formic acid;1-methylcyclobutan-1-amine;hydrochloride.
What is the SMILES notation for formic acid;1-methylcyclobutan-1-amine;hydrochloride?
The canonical SMILES for formic acid;1-methylcyclobutan-1-amine;hydrochloride is CC1(N)CCC1.Cl.O=CO.
What is the InChIKey of formic acid;1-methylcyclobutan-1-amine;hydrochloride?
The InChIKey is JIQMPEOMCPQRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.CH2O2.ClH/c1-5(6)3-2-4-5;2-1-3;/h2-4,6H2,1H3;1H,(H,2,3);1H.
What are the key properties of formic acid;1-methylcyclobutan-1-amine;hydrochloride?
formic acid;1-methylcyclobutan-1-amine;hydrochloride has a molecular weight of 167.64 g/mol, XLogP of 1.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1-methylcyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 175593564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).