1-(diaminomethylidene)-2-[4-(1-hydroxyethyl)phenyl]guanidine

C10H15N5O — CID 168601889

IUPAC1-(diaminomethylidene)-2-[4-(1-hydroxyethyl)phenyl]guanidine
SMILESCC(O)c1ccc(/N=C(\N)N=C(N)N)cc1
InChIInChI=1S/C10H15N5O/c1-6(16)7-2-4-8(5-3-7)14-10(13)15-9(11)12/h2-6,16H,1H3,(H6,11,12,13,14,15)
InChIKeyUVQBFPYFQQYORS-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.04
Rot. Bonds2

About 1-(diaminomethylidene)-2-[4-(1-hydroxyethyl)phenyl]guanidine

1-(diaminomethylidene)-2-[4-(1-hydroxyethyl)phenyl]guanidine (PubChem CID 168601889) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[4-(1-hydroxyethyl)phenyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[4-(1-hydroxyethyl)phenyl]guanidine
PubChem CID168601889
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name1-(diaminomethylidene)-2-[4-(1-hydroxyethyl)phenyl]guanidine
SMILESCC(O)c1ccc(/N=C(\N)N=C(N)N)cc1
InChIInChI=1S/C10H15N5O/c1-6(16)7-2-4-8(5-3-7)14-10(13)15-9(11)12/h2-6,16H,1H3,(H6,11,12,13,14,15)
InChIKeyUVQBFPYFQQYORS-UHFFFAOYSA-N
XLogP-0.04
TPSA123.01 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenyl)-1-(diaminomethylidene)guanidine
CID 29665
4-[[amino-(diaminomethylideneamino)methylidene]amino]-N,N-di(propan-2-yl)benzamide
CID 24834253
bis(2-(4-chlorophenyl)-1-(diaminomethylidene)guanidine);cyclohexane
CID 70021727
1-(diaminomethylidene)-2-(4-ethoxyphenyl)guanidine
CID 29671
1-(diaminomethylidene)-2-(4-trimethoxysilylphenyl)guanidine
CID 168604796
1-(diaminomethylidene)-2-[4-(2-methylbutan-2-yl)phenyl]guanidine
CID 54118391
methyl 4-[[amino-(diaminomethylideneamino)methylidene]amino]benzoate
CID 168600995
1-(diaminomethylidene)-2-[4-(difluoromethylsulfanyl)phenyl]guanidine chloride
CID 21178055
1-(diaminomethylidene)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]guanidine
CID 168602108
methyl N-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]carbamate
CID 168605433
1-(diaminomethylidene)-2-[4-(trifluoromethylsulfanyl)phenyl]guanidine
CID 4190840
2-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenoxy]ethyl-trimethylazanium
CID 168605345

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[4-(1-hydroxyethyl)phenyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[4-(1-hydroxyethyl)phenyl]guanidine (CID 168601889) is 1-(diaminomethylidene)-2-[4-(1-hydroxyethyl)phenyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[4-(1-hydroxyethyl)phenyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[4-(1-hydroxyethyl)phenyl]guanidine is CC(O)c1ccc(/N=C(\N)N=C(N)N)cc1.
What is the InChIKey of 1-(diaminomethylidene)-2-[4-(1-hydroxyethyl)phenyl]guanidine?
The InChIKey is UVQBFPYFQQYORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-6(16)7-2-4-8(5-3-7)14-10(13)15-9(11)12/h2-6,16H,1H3,(H6,11,12,13,14,15).
What are the key properties of 1-(diaminomethylidene)-2-[4-(1-hydroxyethyl)phenyl]guanidine?
1-(diaminomethylidene)-2-[4-(1-hydroxyethyl)phenyl]guanidine has a molecular weight of 221.26 g/mol, XLogP of -0.04, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[4-(1-hydroxyethyl)phenyl]guanidine is sourced from PubChem (CID 168601889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).