1-(diaminomethylidene)-2-[(1S)-1-phenylethyl]guanidine

C10H15N5 — CID 54410144

IUPAC1-(diaminomethylidene)-2-[(1S)-1-phenylethyl]guanidine
SMILESC[C@H](/N=C(\N)N=C(N)N)c1ccccc1
InChIInChI=1S/C10H15N5/c1-7(8-5-3-2-4-6-8)14-10(13)15-9(11)12/h2-7H,1H3,(H6,11,12,13,14,15)/t7-/m0/s1
InChIKeyVTNMRMWMJVVEPD-ZETCQYMHSA-N
MW205.27 g/mol
LogP0.34
Rot. Bonds2

About 1-(diaminomethylidene)-2-[(1S)-1-phenylethyl]guanidine

1-(diaminomethylidene)-2-[(1S)-1-phenylethyl]guanidine (PubChem CID 54410144) has the molecular formula C10H15N5 and a molecular weight of 205.27 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[(1S)-1-phenylethyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[(1S)-1-phenylethyl]guanidine
PubChem CID54410144
Molecular FormulaC10H15N5
Molecular Weight205.27 g/mol
Exact Mass205.13
IUPAC Name1-(diaminomethylidene)-2-[(1S)-1-phenylethyl]guanidine
SMILESC[C@H](/N=C(\N)N=C(N)N)c1ccccc1
InChIInChI=1S/C10H15N5/c1-7(8-5-3-2-4-6-8)14-10(13)15-9(11)12/h2-7H,1H3,(H6,11,12,13,14,15)/t7-/m0/s1
InChIKeyVTNMRMWMJVVEPD-ZETCQYMHSA-N
XLogP0.34
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.27
LogP ≤ 50.34
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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Related Compounds

1-(diaminomethylidene)-2-[1-(4-methylphenyl)ethyl]guanidine
CID 83036544
2-[1-(3-chlorophenyl)ethyl]-1-(diaminomethylidene)guanidine
CID 83036957
1-(diaminomethylidene)-2-(1-phenylpropyl)guanidine
CID 15411052
N'-[(1S)-1-phenylethyl]ethanimidamide;hydrobromide
CID 25231669
1-(diaminomethylidene)-2-(1-naphthalen-1-ylethyl)guanidine;hydrochloride
CID 175013889
2-[(4-chlorophenyl)-phenylmethyl]-1-(diaminomethylidene)guanidine;hydrochloride
CID 90034255
1,2,3-tris[(1S)-1-phenylethyl]guanidine
CID 101384426
1-(diaminomethylidene)-2-(1-phenylbutan-2-yl)guanidine
CID 24835754
N-(1-phenylethyl)benzenecarboximidoyl chloride
CID 14043800
(2R,3R)-N-(diaminomethylidene)-2,3-diphenylbutanamide
CID 90027611
propyl N-[N'-[(1R)-1-phenylethyl]carbamimidoyl]carbamate
CID 102405202
2,2,2-trifluoro-1-phenyl-N-[(1R)-1-phenylethyl]ethanimine
CID 11323391

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[(1S)-1-phenylethyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[(1S)-1-phenylethyl]guanidine (CID 54410144) is 1-(diaminomethylidene)-2-[(1S)-1-phenylethyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[(1S)-1-phenylethyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[(1S)-1-phenylethyl]guanidine is C[C@H](/N=C(\N)N=C(N)N)c1ccccc1.
What is the InChIKey of 1-(diaminomethylidene)-2-[(1S)-1-phenylethyl]guanidine?
The InChIKey is VTNMRMWMJVVEPD-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15N5/c1-7(8-5-3-2-4-6-8)14-10(13)15-9(11)12/h2-7H,1H3,(H6,11,12,13,14,15)/t7-/m0/s1.
What are the key properties of 1-(diaminomethylidene)-2-[(1S)-1-phenylethyl]guanidine?
1-(diaminomethylidene)-2-[(1S)-1-phenylethyl]guanidine has a molecular weight of 205.27 g/mol, XLogP of 0.34, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[(1S)-1-phenylethyl]guanidine is sourced from PubChem (CID 54410144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).