1-(butylideneamino)guanidine;hydrochloride

C5H13ClN4 — CID 176518846

IUPAC1-(butylideneamino)guanidine;hydrochloride
SMILESCl.[H]/N=C(\N)NN=CCCC
InChIInChI=1S/C5H12N4.ClH/c1-2-3-4-8-9-5(6)7;/h4H,2-3H2,1H3,(H4,6,7,9);1H
InChIKeyXWONGOCULDVOFX-UHFFFAOYSA-N
MW164.64 g/mol
LogP0.68
Rot. Bonds3

About 1-(butylideneamino)guanidine;hydrochloride

1-(butylideneamino)guanidine;hydrochloride (PubChem CID 176518846) has the molecular formula C5H13ClN4 and a molecular weight of 164.64 g/mol. Its IUPAC name is 1-(butylideneamino)guanidine;hydrochloride.

Molecular Properties

Compound Name1-(butylideneamino)guanidine;hydrochloride
PubChem CID176518846
Molecular FormulaC5H13ClN4
Molecular Weight164.64 g/mol
Exact Mass164.08
IUPAC Name1-(butylideneamino)guanidine;hydrochloride
SMILESCl.[H]/N=C(\N)NN=CCCC
InChIInChI=1S/C5H12N4.ClH/c1-2-3-4-8-9-5(6)7;/h4H,2-3H2,1H3,(H4,6,7,9);1H
InChIKeyXWONGOCULDVOFX-UHFFFAOYSA-N
XLogP0.68
TPSA74.26 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.64
LogP ≤ 50.68
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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Related Compounds

(2E,2'E)-2,2'-(Propane-1,2-diylidene)bis(hydrazine-1-carboximidamide)
CID 176517142
Unii-OD5Q0L447W
CID 176525263
Mitoguanazone
CID 176519322
1,1'-(Methylethanediylidenedinitrilo)bis(3-aminoguanidine)
CID 9578162
1-[2-(Diaminomethylidenehydrazinylidene)propylideneamino]guanidine
CID 176525271
3H-1,2,4,5-Tetrazepin-3-imine, 2,4-dihydro-6-methyl-, monohydrochloride
CID 6400718
6-Methyl-2,4-dihydro-1,2,4,5-tetrazepin-3-imine;hydrochloride
CID 176537002
2,2'-(Butane-1,2-diylidene)di(hydrazine-1-carboximidamide)
CID 176520722
CID 9561748
CID 9561748
CID 54602858
CID 54602858
2-methyl-1-[(E)-propylideneamino]guanidine
CID 55300365
1,2-bis[(Z)-ethylideneamino]guanidine
CID 59268401

Frequently Asked Questions

What is the IUPAC name of 1-(butylideneamino)guanidine;hydrochloride?
The IUPAC name of 1-(butylideneamino)guanidine;hydrochloride (CID 176518846) is 1-(butylideneamino)guanidine;hydrochloride.
What is the SMILES notation for 1-(butylideneamino)guanidine;hydrochloride?
The canonical SMILES for 1-(butylideneamino)guanidine;hydrochloride is Cl.[H]/N=C(\N)NN=CCCC.
What is the InChIKey of 1-(butylideneamino)guanidine;hydrochloride?
The InChIKey is XWONGOCULDVOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4.ClH/c1-2-3-4-8-9-5(6)7;/h4H,2-3H2,1H3,(H4,6,7,9);1H.
What are the key properties of 1-(butylideneamino)guanidine;hydrochloride?
1-(butylideneamino)guanidine;hydrochloride has a molecular weight of 164.64 g/mol, XLogP of 0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butylideneamino)guanidine;hydrochloride is sourced from PubChem (CID 176518846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).