1-(butylideneamino)guanidine

C5H12N4 — CID 176526774

IUPAC1-(butylideneamino)guanidine
SMILES[H]/N=C(\N)NN=CCCC
InChIInChI=1S/C5H12N4/c1-2-3-4-8-9-5(6)7/h4H,2-3H2,1H3,(H4,6,7,9)
InChIKeyKDXQOLQCVPEJJE-UHFFFAOYSA-N
MW128.18 g/mol
LogP0.26
Rot. Bonds3

About 1-(butylideneamino)guanidine

1-(butylideneamino)guanidine (PubChem CID 176526774) has the molecular formula C5H12N4 and a molecular weight of 128.18 g/mol. Its IUPAC name is 1-(butylideneamino)guanidine.

Molecular Properties

Compound Name1-(butylideneamino)guanidine
PubChem CID176526774
Molecular FormulaC5H12N4
Molecular Weight128.18 g/mol
Exact Mass128.11
IUPAC Name1-(butylideneamino)guanidine
SMILES[H]/N=C(\N)NN=CCCC
InChIInChI=1S/C5H12N4/c1-2-3-4-8-9-5(6)7/h4H,2-3H2,1H3,(H4,6,7,9)
InChIKeyKDXQOLQCVPEJJE-UHFFFAOYSA-N
XLogP0.26
TPSA74.26 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(butylideneamino)guanidine?
The IUPAC name of 1-(butylideneamino)guanidine (CID 176526774) is 1-(butylideneamino)guanidine.
What is the SMILES notation for 1-(butylideneamino)guanidine?
The canonical SMILES for 1-(butylideneamino)guanidine is [H]/N=C(\N)NN=CCCC.
What is the InChIKey of 1-(butylideneamino)guanidine?
The InChIKey is KDXQOLQCVPEJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4/c1-2-3-4-8-9-5(6)7/h4H,2-3H2,1H3,(H4,6,7,9).
What are the key properties of 1-(butylideneamino)guanidine?
1-(butylideneamino)guanidine has a molecular weight of 128.18 g/mol, XLogP of 0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butylideneamino)guanidine is sourced from PubChem (CID 176526774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).