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

C17H28IN3 — CID 111619045

IUPAC1-(cyclopropylmethyl)-3-(2,2-dimethyl-3-phenylpropyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCC1CC1)NCC(C)(C)Cc1ccccc1.I
InChIInChI=1S/C17H27N3.HI/c1-17(2,11-14-7-5-4-6-8-14)13-20-16(18-3)19-12-15-9-10-15;/h4-8,15H,9-13H2,1-3H3,(H2,18,19,20);1H
InChIKeyHYBIXROPSAWKOQ-UHFFFAOYSA-N
MW401.34 g/mol
LogP3.45
Rot. Bonds6

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

1-(cyclopropylmethyl)-3-(2,2-dimethyl-3-phenylpropyl)-2-methylguanidine;hydroiodide (PubChem CID 111619045) has the molecular formula C17H28IN3 and a molecular weight of 401.34 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-(2,2-dimethyl-3-phenylpropyl)-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-(2,2-dimethyl-3-phenylpropyl)-2-methylguanidine;hydroiodide
PubChem CID111619045
Molecular FormulaC17H28IN3
Molecular Weight401.34 g/mol
Exact Mass401.13
IUPAC Name1-(cyclopropylmethyl)-3-(2,2-dimethyl-3-phenylpropyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCC1CC1)NCC(C)(C)Cc1ccccc1.I
InChIInChI=1S/C17H27N3.HI/c1-17(2,11-14-7-5-4-6-8-14)13-20-16(18-3)19-12-15-9-10-15;/h4-8,15H,9-13H2,1-3H3,(H2,18,19,20);1H
InChIKeyHYBIXROPSAWKOQ-UHFFFAOYSA-N
XLogP3.45
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.34
LogP ≤ 53.45
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-cyclopropyl-3-(2,2-dimethyl-3-phenylpropyl)-2-methylguanidine;hydroiodide
CID 111425065
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-(2,2-dimethyl-3-phenylpropyl)-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111791664
1-(2,2-dimethyl-3-phenylpropyl)-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111619338
1-(cyclopropylmethyl)-2-methyl-3-(5-phenylpentyl)guanidine
CID 111868598
N-benzyl-2-[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]acetamide
CID 111867274
1-[2-(3-chlorophenyl)-2-methylpropyl]-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide
CID 111868661
1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(cyclopropylmethyl)-2-methylguanidine
CID 111869208
1-[3-[benzyl(methyl)amino]propyl]-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide
CID 111870458
1-(2,2-dimethyl-3-phenylpropyl)-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111619240
3-(2,2-dimethyl-3-phenylpropyl)-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109381413

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-(2,2-dimethyl-3-phenylpropyl)-2-methylguanidine;hydroiodide?
The IUPAC name of 1-(cyclopropylmethyl)-3-(2,2-dimethyl-3-phenylpropyl)-2-methylguanidine;hydroiodide (CID 111619045) is 1-(cyclopropylmethyl)-3-(2,2-dimethyl-3-phenylpropyl)-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-(2,2-dimethyl-3-phenylpropyl)-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-(cyclopropylmethyl)-3-(2,2-dimethyl-3-phenylpropyl)-2-methylguanidine;hydroiodide is C/N=C(\NCC1CC1)NCC(C)(C)Cc1ccccc1.I.
What is the InChIKey of 1-(cyclopropylmethyl)-3-(2,2-dimethyl-3-phenylpropyl)-2-methylguanidine;hydroiodide?
The InChIKey is HYBIXROPSAWKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3.HI/c1-17(2,11-14-7-5-4-6-8-14)13-20-16(18-3)19-12-15-9-10-15;/h4-8,15H,9-13H2,1-3H3,(H2,18,19,20);1H.
What are the key properties of 1-(cyclopropylmethyl)-3-(2,2-dimethyl-3-phenylpropyl)-2-methylguanidine;hydroiodide?
1-(cyclopropylmethyl)-3-(2,2-dimethyl-3-phenylpropyl)-2-methylguanidine;hydroiodide has a molecular weight of 401.34 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-(2,2-dimethyl-3-phenylpropyl)-2-methylguanidine;hydroiodide is sourced from PubChem (CID 111619045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).