2-butyl-1-cyclopentyl-3-(diaminomethylidene)guanidine;hydrochloride

C11H24ClN5 — CID 53307843

IUPAC2-butyl-1-cyclopentyl-3-(diaminomethylidene)guanidine;hydrochloride
SMILESCCCC/N=C(/N=C(N)N)NC1CCCC1.Cl
InChIInChI=1S/C11H23N5.ClH/c1-2-3-8-14-11(16-10(12)13)15-9-6-4-5-7-9;/h9H,2-8H2,1H3,(H5,12,13,14,15,16);1H
InChIKeyLXJQGIGUONFDPU-UHFFFAOYSA-N
MW261.80 g/mol
LogP1.37
Rot. Bonds4

About 2-butyl-1-cyclopentyl-3-(diaminomethylidene)guanidine;hydrochloride

2-butyl-1-cyclopentyl-3-(diaminomethylidene)guanidine;hydrochloride (PubChem CID 53307843) has the molecular formula C11H24ClN5 and a molecular weight of 261.80 g/mol. Its IUPAC name is 2-butyl-1-cyclopentyl-3-(diaminomethylidene)guanidine;hydrochloride.

Molecular Properties

Compound Name2-butyl-1-cyclopentyl-3-(diaminomethylidene)guanidine;hydrochloride
PubChem CID53307843
Molecular FormulaC11H24ClN5
Molecular Weight261.80 g/mol
Exact Mass261.17
IUPAC Name2-butyl-1-cyclopentyl-3-(diaminomethylidene)guanidine;hydrochloride
SMILESCCCC/N=C(/N=C(N)N)NC1CCCC1.Cl
InChIInChI=1S/C11H23N5.ClH/c1-2-3-8-14-11(16-10(12)13)15-9-6-4-5-7-9;/h9H,2-8H2,1H3,(H5,12,13,14,15,16);1H
InChIKeyLXJQGIGUONFDPU-UHFFFAOYSA-N
XLogP1.37
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.80
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2-butyl-1-cyclopentyl-3-(diaminomethylidene)guanidine;hydrochloride?
The IUPAC name of 2-butyl-1-cyclopentyl-3-(diaminomethylidene)guanidine;hydrochloride (CID 53307843) is 2-butyl-1-cyclopentyl-3-(diaminomethylidene)guanidine;hydrochloride.
What is the SMILES notation for 2-butyl-1-cyclopentyl-3-(diaminomethylidene)guanidine;hydrochloride?
The canonical SMILES for 2-butyl-1-cyclopentyl-3-(diaminomethylidene)guanidine;hydrochloride is CCCC/N=C(/N=C(N)N)NC1CCCC1.Cl.
What is the InChIKey of 2-butyl-1-cyclopentyl-3-(diaminomethylidene)guanidine;hydrochloride?
The InChIKey is LXJQGIGUONFDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5.ClH/c1-2-3-8-14-11(16-10(12)13)15-9-6-4-5-7-9;/h9H,2-8H2,1H3,(H5,12,13,14,15,16);1H.
What are the key properties of 2-butyl-1-cyclopentyl-3-(diaminomethylidene)guanidine;hydrochloride?
2-butyl-1-cyclopentyl-3-(diaminomethylidene)guanidine;hydrochloride has a molecular weight of 261.80 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-cyclopentyl-3-(diaminomethylidene)guanidine;hydrochloride is sourced from PubChem (CID 53307843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).