1-cyclohexyl-3-(diaminomethylidene)-2-(2-phenylethyl)guanidine;hydrochloride

C16H26ClN5 — CID 53307935

IUPAC1-cyclohexyl-3-(diaminomethylidene)-2-(2-phenylethyl)guanidine;hydrochloride
SMILESCl.NC(N)=N/C(=N\CCc1ccccc1)NC1CCCCC1
InChIInChI=1S/C16H25N5.ClH/c17-15(18)21-16(20-14-9-5-2-6-10-14)19-12-11-13-7-3-1-4-8-13;/h1,3-4,7-8,14H,2,5-6,9-12H2,(H5,17,18,19,20,21);1H
InChIKeyYOLYAZMWHJZSKA-UHFFFAOYSA-N
MW323.87 g/mol
LogP2.20
Rot. Bonds4

About 1-cyclohexyl-3-(diaminomethylidene)-2-(2-phenylethyl)guanidine;hydrochloride

1-cyclohexyl-3-(diaminomethylidene)-2-(2-phenylethyl)guanidine;hydrochloride (PubChem CID 53307935) has the molecular formula C16H26ClN5 and a molecular weight of 323.87 g/mol. Its IUPAC name is 1-cyclohexyl-3-(diaminomethylidene)-2-(2-phenylethyl)guanidine;hydrochloride.

Molecular Properties

Compound Name1-cyclohexyl-3-(diaminomethylidene)-2-(2-phenylethyl)guanidine;hydrochloride
PubChem CID53307935
Molecular FormulaC16H26ClN5
Molecular Weight323.87 g/mol
Exact Mass323.19
IUPAC Name1-cyclohexyl-3-(diaminomethylidene)-2-(2-phenylethyl)guanidine;hydrochloride
SMILESCl.NC(N)=N/C(=N\CCc1ccccc1)NC1CCCCC1
InChIInChI=1S/C16H25N5.ClH/c17-15(18)21-16(20-14-9-5-2-6-10-14)19-12-11-13-7-3-1-4-8-13;/h1,3-4,7-8,14H,2,5-6,9-12H2,(H5,17,18,19,20,21);1H
InChIKeyYOLYAZMWHJZSKA-UHFFFAOYSA-N
XLogP2.20
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 52.20
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

2-benzyl-1-cyclopentyl-3-(diaminomethylidene)guanidine;hydrochloride
CID 53308012
1-cyclohexyl-2-(2-phenylethyl)guanidine
CID 62364481
1-(4-bromophenyl)-3-(diaminomethylidene)-2-(2-phenylethyl)guanidine;hydrochloride
CID 130442351
1-[amino-(diaminomethylideneamino)methylidene]-2-(2-phenylethyl)guanidine
CID 154046017
1-(diaminomethylidene)-2-(2-phenylethyl)guanidine;hydron;chloride
CID 657277
1-cyclohexyl-2-[2-(3,5-difluorophenyl)ethyl]guanidine
CID 62615976
1-cyclopentyl-2-[2-(4-methoxyphenyl)ethyl]guanidine
CID 55063965
2-phenylethyl N,N'-dicyclohexylcarbamimidate
CID 11727199
N-cyclopentyl-2-phenylacetamide;hydrochloride
CID 69292876
1-cyclohexyl-2-(4-phenylmethoxybutyl)guanidine;hydroiodide
CID 111093612
(2R)-N-cyclohexyl-2-[2-phenylethyl(3-phenylpropanoyl)amino]propanamide
CID 100517141
(2R)-N-cyclohexyl-2-[2-phenylethyl(propanoyl)amino]propanamide
CID 100521838

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(diaminomethylidene)-2-(2-phenylethyl)guanidine;hydrochloride?
The IUPAC name of 1-cyclohexyl-3-(diaminomethylidene)-2-(2-phenylethyl)guanidine;hydrochloride (CID 53307935) is 1-cyclohexyl-3-(diaminomethylidene)-2-(2-phenylethyl)guanidine;hydrochloride.
What is the SMILES notation for 1-cyclohexyl-3-(diaminomethylidene)-2-(2-phenylethyl)guanidine;hydrochloride?
The canonical SMILES for 1-cyclohexyl-3-(diaminomethylidene)-2-(2-phenylethyl)guanidine;hydrochloride is Cl.NC(N)=N/C(=N\CCc1ccccc1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(diaminomethylidene)-2-(2-phenylethyl)guanidine;hydrochloride?
The InChIKey is YOLYAZMWHJZSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5.ClH/c17-15(18)21-16(20-14-9-5-2-6-10-14)19-12-11-13-7-3-1-4-8-13;/h1,3-4,7-8,14H,2,5-6,9-12H2,(H5,17,18,19,20,21);1H.
What are the key properties of 1-cyclohexyl-3-(diaminomethylidene)-2-(2-phenylethyl)guanidine;hydrochloride?
1-cyclohexyl-3-(diaminomethylidene)-2-(2-phenylethyl)guanidine;hydrochloride has a molecular weight of 323.87 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(diaminomethylidene)-2-(2-phenylethyl)guanidine;hydrochloride is sourced from PubChem (CID 53307935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).