2-[2-[cyclohexyl(propyl)amino]ethyl]guanidine;sulfuric acid;hydrate

C12H30N4O5S — CID 23619153

IUPAC2-[2-[cyclohexyl(propyl)amino]ethyl]guanidine;sulfuric acid;hydrate
SMILESCCCN(CCN=C(N)N)C1CCCCC1.O.O=S(=O)(O)O
InChIInChI=1S/C12H26N4.H2O4S.H2O/c1-2-9-16(10-8-15-12(13)14)11-6-4-3-5-7-11;1-5(2,3)4;/h11H,2-10H2,1H3,(H4,13,14,15);(H2,1,2,3,4);1H2
InChIKeyZQUDWGDESHEFIK-UHFFFAOYSA-N
MW342.46 g/mol
LogP-0.17
Rot. Bonds6

About 2-[2-[cyclohexyl(propyl)amino]ethyl]guanidine;sulfuric acid;hydrate

2-[2-[cyclohexyl(propyl)amino]ethyl]guanidine;sulfuric acid;hydrate (PubChem CID 23619153) has the molecular formula C12H30N4O5S and a molecular weight of 342.46 g/mol. Its IUPAC name is 2-[2-[cyclohexyl(propyl)amino]ethyl]guanidine;sulfuric acid;hydrate.

Molecular Properties

Compound Name2-[2-[cyclohexyl(propyl)amino]ethyl]guanidine;sulfuric acid;hydrate
PubChem CID23619153
Molecular FormulaC12H30N4O5S
Molecular Weight342.46 g/mol
Exact Mass342.19
IUPAC Name2-[2-[cyclohexyl(propyl)amino]ethyl]guanidine;sulfuric acid;hydrate
SMILESCCCN(CCN=C(N)N)C1CCCCC1.O.O=S(=O)(O)O
InChIInChI=1S/C12H26N4.H2O4S.H2O/c1-2-9-16(10-8-15-12(13)14)11-6-4-3-5-7-11;1-5(2,3)4;/h11H,2-10H2,1H3,(H4,13,14,15);(H2,1,2,3,4);1H2
InChIKeyZQUDWGDESHEFIK-UHFFFAOYSA-N
XLogP-0.17
TPSA173.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

N,N-dipropylcyclodecanamine
CID 139723962
2-[2-[cyclopentyl(methyl)amino]ethyl]guanidine
CID 63316564
N'-cyclohexyl-N'-propylethane-1,2-diamine
CID 61348599
2-propylguanidine;sulfuric acid
CID 12725939
N-butyl-N-propylcyclohexanamine
CID 15751893
2-(2-cyclopentylethyl)guanidine;sulfuric acid
CID 70610443
2-[cyclododecyl(propyl)amino]acetic acid
CID 65064979
N'-cyclohexyl-N-methyl-N'-propylethane-1,2-diamine
CID 82932420
N'-cycloheptyl-N-methyl-N'-propylethane-1,2-diamine
CID 82931038
N'-cyclopentyl-N'-(2-ethylsulfonylethyl)ethane-1,2-diamine
CID 63761677
1-cyclopentyl-1-propylhydrazine
CID 90722270
2-[2-[ethyl(propyl)amino]ethyl]guanidine
CID 103718965

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclohexyl(propyl)amino]ethyl]guanidine;sulfuric acid;hydrate?
The IUPAC name of 2-[2-[cyclohexyl(propyl)amino]ethyl]guanidine;sulfuric acid;hydrate (CID 23619153) is 2-[2-[cyclohexyl(propyl)amino]ethyl]guanidine;sulfuric acid;hydrate.
What is the SMILES notation for 2-[2-[cyclohexyl(propyl)amino]ethyl]guanidine;sulfuric acid;hydrate?
The canonical SMILES for 2-[2-[cyclohexyl(propyl)amino]ethyl]guanidine;sulfuric acid;hydrate is CCCN(CCN=C(N)N)C1CCCCC1.O.O=S(=O)(O)O.
What is the InChIKey of 2-[2-[cyclohexyl(propyl)amino]ethyl]guanidine;sulfuric acid;hydrate?
The InChIKey is ZQUDWGDESHEFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4.H2O4S.H2O/c1-2-9-16(10-8-15-12(13)14)11-6-4-3-5-7-11;1-5(2,3)4;/h11H,2-10H2,1H3,(H4,13,14,15);(H2,1,2,3,4);1H2.
What are the key properties of 2-[2-[cyclohexyl(propyl)amino]ethyl]guanidine;sulfuric acid;hydrate?
2-[2-[cyclohexyl(propyl)amino]ethyl]guanidine;sulfuric acid;hydrate has a molecular weight of 342.46 g/mol, XLogP of -0.17, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclohexyl(propyl)amino]ethyl]guanidine;sulfuric acid;hydrate is sourced from PubChem (CID 23619153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).