pentanimidamide;hydrochloride

C5H13ClN2 — CID 11615174

IUPACpentanimidamide;hydrochloride
SMILESCl.[H]/N=C(/N)CCCC
InChIInChI=1S/C5H12N2.ClH/c1-2-3-4-5(6)7;/h2-4H2,1H3,(H3,6,7);1H
InChIKeyFFHQVTXPIOPINO-UHFFFAOYSA-N
MW136.63 g/mol
LogP1.53
Rot. Bonds3

About pentanimidamide;hydrochloride

pentanimidamide;hydrochloride (PubChem CID 11615174) has the molecular formula C5H13ClN2 and a molecular weight of 136.63 g/mol. Its IUPAC name is pentanimidamide;hydrochloride.

Molecular Properties

Compound Namepentanimidamide;hydrochloride
PubChem CID11615174
Molecular FormulaC5H13ClN2
Molecular Weight136.63 g/mol
Exact Mass136.08
IUPAC Namepentanimidamide;hydrochloride
SMILESCl.[H]/N=C(/N)CCCC
InChIInChI=1S/C5H12N2.ClH/c1-2-3-4-5(6)7;/h2-4H2,1H3,(H3,6,7);1H
InChIKeyFFHQVTXPIOPINO-UHFFFAOYSA-N
XLogP1.53
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.63
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pentanimidamide;hydrochloride?
The IUPAC name of pentanimidamide;hydrochloride (CID 11615174) is pentanimidamide;hydrochloride.
What is the SMILES notation for pentanimidamide;hydrochloride?
The canonical SMILES for pentanimidamide;hydrochloride is Cl.[H]/N=C(/N)CCCC.
What is the InChIKey of pentanimidamide;hydrochloride?
The InChIKey is FFHQVTXPIOPINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2.ClH/c1-2-3-4-5(6)7;/h2-4H2,1H3,(H3,6,7);1H.
What are the key properties of pentanimidamide;hydrochloride?
pentanimidamide;hydrochloride has a molecular weight of 136.63 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentanimidamide;hydrochloride is sourced from PubChem (CID 11615174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).