1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-ethyl-2-(2-hydroxy-2-phenylpropyl)guanidine

C21H34N4O — CID 109418138

IUPAC1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-ethyl-2-(2-hydroxy-2-phenylpropyl)guanidine
SMILESCCN/C(=N\CC(C)(O)c1ccccc1)NCCN(CC1CC1)C1CC1
InChIInChI=1S/C21H34N4O/c1-3-22-20(24-16-21(2,26)18-7-5-4-6-8-18)23-13-14-25(19-11-12-19)15-17-9-10-17/h4-8,17,19,26H,3,9-16H2,1-2H3,(H2,22,23,24)
InChIKeyROYBQYSCARWBKK-UHFFFAOYSA-N
MW358.53 g/mol
LogP2.32
Rot. Bonds10

About 1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-ethyl-2-(2-hydroxy-2-phenylpropyl)guanidine

1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-ethyl-2-(2-hydroxy-2-phenylpropyl)guanidine (PubChem CID 109418138) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-ethyl-2-(2-hydroxy-2-phenylpropyl)guanidine.

Molecular Properties

Compound Name1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-ethyl-2-(2-hydroxy-2-phenylpropyl)guanidine
PubChem CID109418138
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC Name1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-ethyl-2-(2-hydroxy-2-phenylpropyl)guanidine
SMILESCCN/C(=N\CC(C)(O)c1ccccc1)NCCN(CC1CC1)C1CC1
InChIInChI=1S/C21H34N4O/c1-3-22-20(24-16-21(2,26)18-7-5-4-6-8-18)23-13-14-25(19-11-12-19)15-17-9-10-17/h4-8,17,19,26H,3,9-16H2,1-2H3,(H2,22,23,24)
InChIKeyROYBQYSCARWBKK-UHFFFAOYSA-N
XLogP2.32
TPSA59.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

1,3-diethyl-2-(2-hydroxy-2-phenylpropyl)guanidine
CID 111335969
1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-[2-(N-methylanilino)ethyl]guanidine;hydroiodide
CID 109417915
1-[2-(cyclopropylmethoxy)ethyl]-3-ethyl-2-(2-hydroxy-2-phenylpropyl)guanidine;hydroiodide
CID 109417385
1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-ethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111015828
1-ethyl-3-(3-fluoropropyl)-2-(2-hydroxy-2-phenylpropyl)guanidine
CID 109417596
1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-ethyl-2-[(3-methylthiophen-2-yl)methyl]guanidine
CID 111893209
1-(cyclopropylmethyl)-3-ethyl-2-(2-methyl-2-phenylpropyl)guanidine
CID 111868436
1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-methyl-3-(2-phenoxyethyl)guanidine
CID 111006245
N-[2-[[N-ethyl-N'-(2-hydroxy-2-phenylpropyl)carbamimidoyl]amino]ethyl]benzamide
CID 109417678
1-ethyl-3-[3-[ethyl(methylsulfonyl)amino]propyl]-2-(2-hydroxy-2-phenylpropyl)guanidine
CID 109417894
N-cyclopentyl-3-[[N-ethyl-N'-(2-hydroxy-2-phenylpropyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 109418613
N-cyclohexyl-3-[[N-ethyl-N'-(2-hydroxy-2-phenylpropyl)carbamimidoyl]amino]propanamide
CID 109418318

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-ethyl-2-(2-hydroxy-2-phenylpropyl)guanidine?
The IUPAC name of 1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-ethyl-2-(2-hydroxy-2-phenylpropyl)guanidine (CID 109418138) is 1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-ethyl-2-(2-hydroxy-2-phenylpropyl)guanidine.
What is the SMILES notation for 1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-ethyl-2-(2-hydroxy-2-phenylpropyl)guanidine?
The canonical SMILES for 1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-ethyl-2-(2-hydroxy-2-phenylpropyl)guanidine is CCN/C(=N\CC(C)(O)c1ccccc1)NCCN(CC1CC1)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-ethyl-2-(2-hydroxy-2-phenylpropyl)guanidine?
The InChIKey is ROYBQYSCARWBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O/c1-3-22-20(24-16-21(2,26)18-7-5-4-6-8-18)23-13-14-25(19-11-12-19)15-17-9-10-17/h4-8,17,19,26H,3,9-16H2,1-2H3,(H2,22,23,24).
What are the key properties of 1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-ethyl-2-(2-hydroxy-2-phenylpropyl)guanidine?
1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-ethyl-2-(2-hydroxy-2-phenylpropyl)guanidine has a molecular weight of 358.53 g/mol, XLogP of 2.32, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-ethyl-2-(2-hydroxy-2-phenylpropyl)guanidine is sourced from PubChem (CID 109418138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).