2-(1-phenylbutylideneamino)guanidine

C11H16N4 — CID 76872532

IUPAC2-(1-phenylbutylideneamino)guanidine
SMILESCCCC(=NN=C(N)N)c1ccccc1
InChIInChI=1S/C11H16N4/c1-2-6-10(14-15-11(12)13)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H4,12,13,15)
InChIKeyDENGHASMSZMFQW-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.46
Rot. Bonds4

About 2-(1-phenylbutylideneamino)guanidine

2-(1-phenylbutylideneamino)guanidine (PubChem CID 76872532) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 2-(1-phenylbutylideneamino)guanidine.

Molecular Properties

Compound Name2-(1-phenylbutylideneamino)guanidine
PubChem CID76872532
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name2-(1-phenylbutylideneamino)guanidine
SMILESCCCC(=NN=C(N)N)c1ccccc1
InChIInChI=1S/C11H16N4/c1-2-6-10(14-15-11(12)13)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H4,12,13,15)
InChIKeyDENGHASMSZMFQW-UHFFFAOYSA-N
XLogP1.46
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.46
H-Bond Donors ≤ 52
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

methyl N'-(1-phenylbutylideneamino)carbamimidothioate
CID 131862850
2-(1,2-diphenylethylideneamino)guanidine
CID 77060183
2-[(Z)-(2-amino-1-phenylethylidene)amino]guanidine
CID 45034354
1-[4-[(E)-N-(diaminomethylideneamino)-C-propylcarbonimidoyl]phenyl]-3-[4-[(Z)-N-(diaminomethylideneamino)-C-propylcarbonimidoyl]phenyl]urea
CID 25129354
1,3-bis[4-[N-(diaminomethylideneamino)-C-propylcarbonimidoyl]phenyl]urea
CID 74389794
1-[4-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-3-[4-[N-(diaminomethylideneamino)-C-propylcarbonimidoyl]phenyl]urea
CID 74389792
(Z)-N-[(E)-1,3-diphenylpropylideneamino]-1,3-diphenylpropan-1-imine
CID 6370993
4-[(3-carboxy-1-phenylpropylidene)hydrazinylidene]-4-phenylbutanoic acid
CID 2834574
2-[1-(4-hydroxyphenyl)propylideneamino]guanidine
CID 3526910
pent-1-en-2-ylbenzene
CID 521761
1-phenylbutan-1-one
CID 10315
2-[1-(3-chlorophenyl)propylideneamino]guanidine
CID 76872531

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylbutylideneamino)guanidine?
The IUPAC name of 2-(1-phenylbutylideneamino)guanidine (CID 76872532) is 2-(1-phenylbutylideneamino)guanidine.
What is the SMILES notation for 2-(1-phenylbutylideneamino)guanidine?
The canonical SMILES for 2-(1-phenylbutylideneamino)guanidine is CCCC(=NN=C(N)N)c1ccccc1.
What is the InChIKey of 2-(1-phenylbutylideneamino)guanidine?
The InChIKey is DENGHASMSZMFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-2-6-10(14-15-11(12)13)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H4,12,13,15).
What are the key properties of 2-(1-phenylbutylideneamino)guanidine?
2-(1-phenylbutylideneamino)guanidine has a molecular weight of 204.28 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylbutylideneamino)guanidine is sourced from PubChem (CID 76872532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).