1-cyclopentyl-2-methyl-3-(2-naphthalen-2-ylethyl)guanidine;hydroiodide

C19H26IN3 — CID 110990646

IUPAC1-cyclopentyl-2-methyl-3-(2-naphthalen-2-ylethyl)guanidine;hydroiodide
SMILESC/N=C(\NCCc1ccc2ccccc2c1)NC1CCCC1.I
InChIInChI=1S/C19H25N3.HI/c1-20-19(22-18-8-4-5-9-18)21-13-12-15-10-11-16-6-2-3-7-17(16)14-15;/h2-3,6-7,10-11,14,18H,4-5,8-9,12-13H2,1H3,(H2,20,21,22);1H
InChIKeyDVXNMUDNZZFXLB-UHFFFAOYSA-N
MW423.34 g/mol
LogP4.11
Rot. Bonds4

About 1-cyclopentyl-2-methyl-3-(2-naphthalen-2-ylethyl)guanidine;hydroiodide

1-cyclopentyl-2-methyl-3-(2-naphthalen-2-ylethyl)guanidine;hydroiodide (PubChem CID 110990646) has the molecular formula C19H26IN3 and a molecular weight of 423.34 g/mol. Its IUPAC name is 1-cyclopentyl-2-methyl-3-(2-naphthalen-2-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopentyl-2-methyl-3-(2-naphthalen-2-ylethyl)guanidine;hydroiodide
PubChem CID110990646
Molecular FormulaC19H26IN3
Molecular Weight423.34 g/mol
Exact Mass423.12
IUPAC Name1-cyclopentyl-2-methyl-3-(2-naphthalen-2-ylethyl)guanidine;hydroiodide
SMILESC/N=C(\NCCc1ccc2ccccc2c1)NC1CCCC1.I
InChIInChI=1S/C19H25N3.HI/c1-20-19(22-18-8-4-5-9-18)21-13-12-15-10-11-16-6-2-3-7-17(16)14-15;/h2-3,6-7,10-11,14,18H,4-5,8-9,12-13H2,1H3,(H2,20,21,22);1H
InChIKeyDVXNMUDNZZFXLB-UHFFFAOYSA-N
XLogP4.11
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.34
LogP ≤ 54.11
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-(3-ethylsulfinylcyclohexyl)-2-methyl-3-(2-naphthalen-2-ylethyl)guanidine
CID 109438293
1-cyclopentyl-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine
CID 110991193
1-cyclohexyl-3-[2-(3-fluorophenyl)ethyl]-2-methylguanidine;hydroiodide
CID 110958992
2-methyl-1-(2-naphthalen-2-ylethyl)-3-propylguanidine;hydroiodide
CID 111226611
1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(naphthalen-2-ylmethyl)guanidine;hydroiodide
CID 111997540
1-cyclohexyl-3-[2-(3-methoxy-4-methylphenyl)ethyl]-2-methylguanidine
CID 111589368
3-[2-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]ethyl]-N-methylbenzamide;hydroiodide
CID 111771281
1-cyclopentyl-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111826609
1-cyclohexyl-2-methyl-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 110959230
3-[2-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]ethyl]-N,N-dimethylbenzamide
CID 111771188
1-cyclohexyl-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 110957791
1-cyclopentyl-2-methyl-3-[2-(4-methylsulfonylphenyl)ethyl]guanidine
CID 111791010

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-methyl-3-(2-naphthalen-2-ylethyl)guanidine;hydroiodide?
The IUPAC name of 1-cyclopentyl-2-methyl-3-(2-naphthalen-2-ylethyl)guanidine;hydroiodide (CID 110990646) is 1-cyclopentyl-2-methyl-3-(2-naphthalen-2-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopentyl-2-methyl-3-(2-naphthalen-2-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-cyclopentyl-2-methyl-3-(2-naphthalen-2-ylethyl)guanidine;hydroiodide is C/N=C(\NCCc1ccc2ccccc2c1)NC1CCCC1.I.
What is the InChIKey of 1-cyclopentyl-2-methyl-3-(2-naphthalen-2-ylethyl)guanidine;hydroiodide?
The InChIKey is DVXNMUDNZZFXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3.HI/c1-20-19(22-18-8-4-5-9-18)21-13-12-15-10-11-16-6-2-3-7-17(16)14-15;/h2-3,6-7,10-11,14,18H,4-5,8-9,12-13H2,1H3,(H2,20,21,22);1H.
What are the key properties of 1-cyclopentyl-2-methyl-3-(2-naphthalen-2-ylethyl)guanidine;hydroiodide?
1-cyclopentyl-2-methyl-3-(2-naphthalen-2-ylethyl)guanidine;hydroiodide has a molecular weight of 423.34 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-methyl-3-(2-naphthalen-2-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 110990646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).