1-(cyclopropylmethyl)-3-ethyl-2-(2-phenylpropyl)guanidine;hydroiodide

C16H26IN3 — CID 111342800

IUPAC1-(cyclopropylmethyl)-3-ethyl-2-(2-phenylpropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)c1ccccc1)NCC1CC1.I
InChIInChI=1S/C16H25N3.HI/c1-3-17-16(19-12-14-9-10-14)18-11-13(2)15-7-5-4-6-8-15;/h4-8,13-14H,3,9-12H2,1-2H3,(H2,17,18,19);1H
InChIKeyJCSZAJFGOWEYOX-UHFFFAOYSA-N
MW387.31 g/mol
LogP3.37
Rot. Bonds6

About 1-(cyclopropylmethyl)-3-ethyl-2-(2-phenylpropyl)guanidine;hydroiodide

1-(cyclopropylmethyl)-3-ethyl-2-(2-phenylpropyl)guanidine;hydroiodide (PubChem CID 111342800) has the molecular formula C16H26IN3 and a molecular weight of 387.31 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-ethyl-2-(2-phenylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-ethyl-2-(2-phenylpropyl)guanidine;hydroiodide
PubChem CID111342800
Molecular FormulaC16H26IN3
Molecular Weight387.31 g/mol
Exact Mass387.12
IUPAC Name1-(cyclopropylmethyl)-3-ethyl-2-(2-phenylpropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)c1ccccc1)NCC1CC1.I
InChIInChI=1S/C16H25N3.HI/c1-3-17-16(19-12-14-9-10-14)18-11-13(2)15-7-5-4-6-8-15;/h4-8,13-14H,3,9-12H2,1-2H3,(H2,17,18,19);1H
InChIKeyJCSZAJFGOWEYOX-UHFFFAOYSA-N
XLogP3.37
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-[(1-methylpiperidin-3-yl)methyl]-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111766218
1-(cyclopropylmethyl)-3-ethyl-2-(2-methoxy-2-phenylethyl)guanidine;hydroiodide
CID 111868097
N-[2-[[N-ethyl-N'-(2-phenylpropyl)carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111342687
1-ethyl-2-[2-(4-methylphenyl)propyl]-3-[(1-methylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111622659
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-3-ethyl-2-(2-methylpropyl)guanidine;hydroiodide
CID 111179640
1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111343364
2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-(cyclopropylmethyl)-3-ethylguanidine;hydroiodide
CID 111998580
1-ethyl-3-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111342752
N-[2-[[N-ethyl-N'-(2-phenylpropyl)carbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111343083
2-[2-(2-chlorophenoxy)propyl]-1-(cyclopropylmethyl)-3-ethylguanidine
CID 111521823
1-ethyl-2-[2-(3-methylphenyl)propyl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]guanidine
CID 111659182
1-(cyclopropylmethyl)-3-ethyl-2-(2-ethylbutyl)guanidine;hydroiodide
CID 111890722

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-ethyl-2-(2-phenylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-(cyclopropylmethyl)-3-ethyl-2-(2-phenylpropyl)guanidine;hydroiodide (CID 111342800) is 1-(cyclopropylmethyl)-3-ethyl-2-(2-phenylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-ethyl-2-(2-phenylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-(cyclopropylmethyl)-3-ethyl-2-(2-phenylpropyl)guanidine;hydroiodide is CCN/C(=N\CC(C)c1ccccc1)NCC1CC1.I.
What is the InChIKey of 1-(cyclopropylmethyl)-3-ethyl-2-(2-phenylpropyl)guanidine;hydroiodide?
The InChIKey is JCSZAJFGOWEYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3.HI/c1-3-17-16(19-12-14-9-10-14)18-11-13(2)15-7-5-4-6-8-15;/h4-8,13-14H,3,9-12H2,1-2H3,(H2,17,18,19);1H.
What are the key properties of 1-(cyclopropylmethyl)-3-ethyl-2-(2-phenylpropyl)guanidine;hydroiodide?
1-(cyclopropylmethyl)-3-ethyl-2-(2-phenylpropyl)guanidine;hydroiodide has a molecular weight of 387.31 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-ethyl-2-(2-phenylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111342800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).