2-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-phenylguanidine;hydroiodide

C16H27IN4 — CID 110033010

IUPAC2-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-phenylguanidine;hydroiodide
SMILESCN(C)CC1(C/N=C(\N)Nc2ccccc2)CCCC1.I
InChIInChI=1S/C16H26N4.HI/c1-20(2)13-16(10-6-7-11-16)12-18-15(17)19-14-8-4-3-5-9-14;/h3-5,8-9H,6-7,10-13H2,1-2H3,(H3,17,18,19);1H
InChIKeyWOQOBCAEHQPRPK-UHFFFAOYSA-N
MW402.32 g/mol
LogP3.15
Rot. Bonds5

About 2-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-phenylguanidine;hydroiodide

2-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-phenylguanidine;hydroiodide (PubChem CID 110033010) has the molecular formula C16H27IN4 and a molecular weight of 402.32 g/mol. Its IUPAC name is 2-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-phenylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-phenylguanidine;hydroiodide
PubChem CID110033010
Molecular FormulaC16H27IN4
Molecular Weight402.32 g/mol
Exact Mass402.13
IUPAC Name2-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-phenylguanidine;hydroiodide
SMILESCN(C)CC1(C/N=C(\N)Nc2ccccc2)CCCC1.I
InChIInChI=1S/C16H26N4.HI/c1-20(2)13-16(10-6-7-11-16)12-18-15(17)19-14-8-4-3-5-9-14;/h3-5,8-9H,6-7,10-13H2,1-2H3,(H3,17,18,19);1H
InChIKeyWOQOBCAEHQPRPK-UHFFFAOYSA-N
XLogP3.15
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.32
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 110033238
2-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 110033256
2-[(1-methylcyclobutyl)methyl]-1-phenylguanidine;hydroiodide
CID 111824737
2-[(1-methylsulfonylcyclopentyl)methyl]-1-phenylguanidine;hydroiodide
CID 120973744
1-phenyl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine
CID 111970168
2-[(1-ethylcyclobutyl)methyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111969293
2-[(4-methyloxan-4-yl)methyl]-1-phenylguanidine
CID 113252878
2-[(1-ethylcyclobutyl)methyl]-1-(4-methylphenyl)guanidine
CID 111969294
2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111970256
1-phenyl-2-(2-sulfanylethyl)guanidine
CID 27742
1-phenyl-2-(2-sulfanylethyl)guanidine;hydrochloride
CID 138398183
N'-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]azetidine-1-carboximidamide
CID 122095314

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-phenylguanidine;hydroiodide?
The IUPAC name of 2-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-phenylguanidine;hydroiodide (CID 110033010) is 2-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-phenylguanidine;hydroiodide.
What is the SMILES notation for 2-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-phenylguanidine;hydroiodide?
The canonical SMILES for 2-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-phenylguanidine;hydroiodide is CN(C)CC1(C/N=C(\N)Nc2ccccc2)CCCC1.I.
What is the InChIKey of 2-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-phenylguanidine;hydroiodide?
The InChIKey is WOQOBCAEHQPRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4.HI/c1-20(2)13-16(10-6-7-11-16)12-18-15(17)19-14-8-4-3-5-9-14;/h3-5,8-9H,6-7,10-13H2,1-2H3,(H3,17,18,19);1H.
What are the key properties of 2-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-phenylguanidine;hydroiodide?
2-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-phenylguanidine;hydroiodide has a molecular weight of 402.32 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-phenylguanidine;hydroiodide is sourced from PubChem (CID 110033010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).