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

C16H24ClN5 — CID 174673014

IUPAC2-cyclohexyl-1-(diaminomethylidene)-3-(2-phenylethenyl)guanidine;hydrochloride
SMILESCl.NC(N)=N/C(=N\C1CCCCC1)NC=Cc1ccccc1
InChIInChI=1S/C16H23N5.ClH/c17-15(18)21-16(20-14-9-5-2-6-10-14)19-12-11-13-7-3-1-4-8-13;/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2,(H5,17,18,19,20,21);1H
InChIKeyPLXLAVVATALSJX-UHFFFAOYSA-N
MW321.86 g/mol
LogP2.63
Rot. Bonds3

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

2-cyclohexyl-1-(diaminomethylidene)-3-(2-phenylethenyl)guanidine;hydrochloride (PubChem CID 174673014) has the molecular formula C16H24ClN5 and a molecular weight of 321.86 g/mol. Its IUPAC name is 2-cyclohexyl-1-(diaminomethylidene)-3-(2-phenylethenyl)guanidine;hydrochloride.

Molecular Properties

Compound Name2-cyclohexyl-1-(diaminomethylidene)-3-(2-phenylethenyl)guanidine;hydrochloride
PubChem CID174673014
Molecular FormulaC16H24ClN5
Molecular Weight321.86 g/mol
Exact Mass321.17
IUPAC Name2-cyclohexyl-1-(diaminomethylidene)-3-(2-phenylethenyl)guanidine;hydrochloride
SMILESCl.NC(N)=N/C(=N\C1CCCCC1)NC=Cc1ccccc1
InChIInChI=1S/C16H23N5.ClH/c17-15(18)21-16(20-14-9-5-2-6-10-14)19-12-11-13-7-3-1-4-8-13;/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2,(H5,17,18,19,20,21);1H
InChIKeyPLXLAVVATALSJX-UHFFFAOYSA-N
XLogP2.63
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.86
LogP ≤ 52.63
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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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(diaminomethylidene)-3-(2-phenylethenyl)guanidine;hydrochloride?
The IUPAC name of 2-cyclohexyl-1-(diaminomethylidene)-3-(2-phenylethenyl)guanidine;hydrochloride (CID 174673014) is 2-cyclohexyl-1-(diaminomethylidene)-3-(2-phenylethenyl)guanidine;hydrochloride.
What is the SMILES notation for 2-cyclohexyl-1-(diaminomethylidene)-3-(2-phenylethenyl)guanidine;hydrochloride?
The canonical SMILES for 2-cyclohexyl-1-(diaminomethylidene)-3-(2-phenylethenyl)guanidine;hydrochloride is Cl.NC(N)=N/C(=N\C1CCCCC1)NC=Cc1ccccc1.
What is the InChIKey of 2-cyclohexyl-1-(diaminomethylidene)-3-(2-phenylethenyl)guanidine;hydrochloride?
The InChIKey is PLXLAVVATALSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5.ClH/c17-15(18)21-16(20-14-9-5-2-6-10-14)19-12-11-13-7-3-1-4-8-13;/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2,(H5,17,18,19,20,21);1H.
What are the key properties of 2-cyclohexyl-1-(diaminomethylidene)-3-(2-phenylethenyl)guanidine;hydrochloride?
2-cyclohexyl-1-(diaminomethylidene)-3-(2-phenylethenyl)guanidine;hydrochloride has a molecular weight of 321.86 g/mol, XLogP of 2.63, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(diaminomethylidene)-3-(2-phenylethenyl)guanidine;hydrochloride is sourced from PubChem (CID 174673014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).