1,1-dibutyl-3-(diaminomethylidene)guanidine;hydrochloride

C10H24ClN5 — CID 71332599

IUPAC1,1-dibutyl-3-(diaminomethylidene)guanidine;hydrochloride
SMILESCl.[H]/N=C(\N=C(N)N)N(CCCC)CCCC
InChIInChI=1S/C10H23N5.ClH/c1-3-5-7-15(8-6-4-2)10(13)14-9(11)12;/h3-8H2,1-2H3,(H5,11,12,13,14);1H
InChIKeyAASYULTUMSBSED-UHFFFAOYSA-N
MW249.79 g/mol
LogP1.52
Rot. Bonds6

About 1,1-dibutyl-3-(diaminomethylidene)guanidine;hydrochloride

1,1-dibutyl-3-(diaminomethylidene)guanidine;hydrochloride (PubChem CID 71332599) has the molecular formula C10H24ClN5 and a molecular weight of 249.79 g/mol. Its IUPAC name is 1,1-dibutyl-3-(diaminomethylidene)guanidine;hydrochloride.

Molecular Properties

Compound Name1,1-dibutyl-3-(diaminomethylidene)guanidine;hydrochloride
PubChem CID71332599
Molecular FormulaC10H24ClN5
Molecular Weight249.79 g/mol
Exact Mass249.17
IUPAC Name1,1-dibutyl-3-(diaminomethylidene)guanidine;hydrochloride
SMILESCl.[H]/N=C(\N=C(N)N)N(CCCC)CCCC
InChIInChI=1S/C10H23N5.ClH/c1-3-5-7-15(8-6-4-2)10(13)14-9(11)12;/h3-8H2,1-2H3,(H5,11,12,13,14);1H
InChIKeyAASYULTUMSBSED-UHFFFAOYSA-N
XLogP1.52
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.79
LogP ≤ 51.52
H-Bond Donors ≤ 53
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 1,1-dibutyl-3-(diaminomethylidene)guanidine;hydrochloride?
The IUPAC name of 1,1-dibutyl-3-(diaminomethylidene)guanidine;hydrochloride (CID 71332599) is 1,1-dibutyl-3-(diaminomethylidene)guanidine;hydrochloride.
What is the SMILES notation for 1,1-dibutyl-3-(diaminomethylidene)guanidine;hydrochloride?
The canonical SMILES for 1,1-dibutyl-3-(diaminomethylidene)guanidine;hydrochloride is Cl.[H]/N=C(\N=C(N)N)N(CCCC)CCCC.
What is the InChIKey of 1,1-dibutyl-3-(diaminomethylidene)guanidine;hydrochloride?
The InChIKey is AASYULTUMSBSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N5.ClH/c1-3-5-7-15(8-6-4-2)10(13)14-9(11)12;/h3-8H2,1-2H3,(H5,11,12,13,14);1H.
What are the key properties of 1,1-dibutyl-3-(diaminomethylidene)guanidine;hydrochloride?
1,1-dibutyl-3-(diaminomethylidene)guanidine;hydrochloride has a molecular weight of 249.79 g/mol, XLogP of 1.52, 6 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibutyl-3-(diaminomethylidene)guanidine;hydrochloride is sourced from PubChem (CID 71332599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).