1-cyclopropyl-3-(2,2-dimethyl-3-phenylpropyl)-2-methylguanidine;hydroiodide

C16H26IN3 — CID 111425065

IUPAC1-cyclopropyl-3-(2,2-dimethyl-3-phenylpropyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(/NCC(C)(C)Cc1ccccc1)NC1CC1.I
InChIInChI=1S/C16H25N3.HI/c1-16(2,11-13-7-5-4-6-8-13)12-18-15(17-3)19-14-9-10-14;/h4-8,14H,9-12H2,1-3H3,(H2,17,18,19);1H
InChIKeyZTHKQSFBAHJFOD-UHFFFAOYSA-N
MW387.31 g/mol
LogP3.20
Rot. Bonds5

About 1-cyclopropyl-3-(2,2-dimethyl-3-phenylpropyl)-2-methylguanidine;hydroiodide

1-cyclopropyl-3-(2,2-dimethyl-3-phenylpropyl)-2-methylguanidine;hydroiodide (PubChem CID 111425065) has the molecular formula C16H26IN3 and a molecular weight of 387.31 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,2-dimethyl-3-phenylpropyl)-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,2-dimethyl-3-phenylpropyl)-2-methylguanidine;hydroiodide
PubChem CID111425065
Molecular FormulaC16H26IN3
Molecular Weight387.31 g/mol
Exact Mass387.12
IUPAC Name1-cyclopropyl-3-(2,2-dimethyl-3-phenylpropyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(/NCC(C)(C)Cc1ccccc1)NC1CC1.I
InChIInChI=1S/C16H25N3.HI/c1-16(2,11-13-7-5-4-6-8-13)12-18-15(17-3)19-14-9-10-14;/h4-8,14H,9-12H2,1-3H3,(H2,17,18,19);1H
InChIKeyZTHKQSFBAHJFOD-UHFFFAOYSA-N
XLogP3.20
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 53.20
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-(2,2-dimethyl-3-phenylpropyl)-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111791664
1-(cyclopropylmethyl)-3-(2,2-dimethyl-3-phenylpropyl)-2-methylguanidine;hydroiodide
CID 111619045
1-cyclopropyl-2-methyl-3-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
CID 110933882
1-(2,2-dimethyl-3-phenylpropyl)-2-methyl-3-propylguanidine;hydroiodide
CID 111619132
1-(2,2-dimethyl-3-phenylpropyl)-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 111619107
1-cyclopropyl-2-methyl-3-[2-methyl-2-(1-phenylethylamino)propyl]guanidine
CID 111111884
N-(2,2-dimethyl-3-phenylpropyl)cyclopropanamine
CID 62724545
1-(2,2-dimethyl-3-phenylpropyl)-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111619338
2-(2,2-dimethyl-3-phenylpropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111979093
1-(1-benzylpiperidin-4-yl)-3-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylguanidine;hydroiodide
CID 110987395
1-cyclopropyl-2-methyl-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 75532438
1-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111257086

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,2-dimethyl-3-phenylpropyl)-2-methylguanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-3-(2,2-dimethyl-3-phenylpropyl)-2-methylguanidine;hydroiodide (CID 111425065) is 1-cyclopropyl-3-(2,2-dimethyl-3-phenylpropyl)-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-3-(2,2-dimethyl-3-phenylpropyl)-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-3-(2,2-dimethyl-3-phenylpropyl)-2-methylguanidine;hydroiodide is C/N=C(/NCC(C)(C)Cc1ccccc1)NC1CC1.I.
What is the InChIKey of 1-cyclopropyl-3-(2,2-dimethyl-3-phenylpropyl)-2-methylguanidine;hydroiodide?
The InChIKey is ZTHKQSFBAHJFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3.HI/c1-16(2,11-13-7-5-4-6-8-13)12-18-15(17-3)19-14-9-10-14;/h4-8,14H,9-12H2,1-3H3,(H2,17,18,19);1H.
What are the key properties of 1-cyclopropyl-3-(2,2-dimethyl-3-phenylpropyl)-2-methylguanidine;hydroiodide?
1-cyclopropyl-3-(2,2-dimethyl-3-phenylpropyl)-2-methylguanidine;hydroiodide has a molecular weight of 387.31 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,2-dimethyl-3-phenylpropyl)-2-methylguanidine;hydroiodide is sourced from PubChem (CID 111425065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).