1-cyclopropyl-1-methyl-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide

C16H20IN3 — CID 110029931

IUPAC1-cyclopropyl-1-methyl-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide
SMILESCN(/C(N)=N/Cc1ccc2ccccc2c1)C1CC1.I
InChIInChI=1S/C16H19N3.HI/c1-19(15-8-9-15)16(17)18-11-12-6-7-13-4-2-3-5-14(13)10-12;/h2-7,10,15H,8-9,11H2,1H3,(H2,17,18);1H
InChIKeyQQEQIHPKAZYDMR-UHFFFAOYSA-N
MW381.26 g/mol
LogP3.37
Rot. Bonds3

About 1-cyclopropyl-1-methyl-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide

1-cyclopropyl-1-methyl-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide (PubChem CID 110029931) has the molecular formula C16H20IN3 and a molecular weight of 381.26 g/mol. Its IUPAC name is 1-cyclopropyl-1-methyl-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-1-methyl-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide
PubChem CID110029931
Molecular FormulaC16H20IN3
Molecular Weight381.26 g/mol
Exact Mass381.07
IUPAC Name1-cyclopropyl-1-methyl-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide
SMILESCN(/C(N)=N/Cc1ccc2ccccc2c1)C1CC1.I
InChIInChI=1S/C16H19N3.HI/c1-19(15-8-9-15)16(17)18-11-12-6-7-13-4-2-3-5-14(13)10-12;/h2-7,10,15H,8-9,11H2,1H3,(H2,17,18);1H
InChIKeyQQEQIHPKAZYDMR-UHFFFAOYSA-N
XLogP3.37
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 53.37
H-Bond Donors ≤ 51
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-2-[(6-methoxynaphthalen-2-yl)methyl]-1-methylguanidine;hydroiodide
CID 110029683
1-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1-methylguanidine
CID 110029396
2-[(4-chlorophenyl)methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 110029377
1-cyclopropyl-2-[(3-ethoxyphenyl)methyl]-1-methylguanidine
CID 110029884
1-cyclopropyl-1-methyl-2-[[3-(3-methylphenyl)phenyl]methyl]guanidine;hydroiodide
CID 110030871
1-cyclopropyl-2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-methylguanidine;hydroiodide
CID 110029855
1-cyclopropyl-1-methyl-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110029707
1-cyclopropyl-1-methyl-2-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 110029535
1-cyclopropyl-2-[[2-(methoxymethyl)phenyl]methyl]-1-methylguanidine;hydroiodide
CID 110029984
2-[3-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]phenoxy]acetamide
CID 110031073
1-cyclopropyl-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methylguanidine
CID 110029556
1-cyclopropyl-1-methyl-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 110029615

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methyl-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-1-methyl-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide (CID 110029931) is 1-cyclopropyl-1-methyl-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-1-methyl-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-1-methyl-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide is CN(/C(N)=N/Cc1ccc2ccccc2c1)C1CC1.I.
What is the InChIKey of 1-cyclopropyl-1-methyl-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide?
The InChIKey is QQEQIHPKAZYDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3.HI/c1-19(15-8-9-15)16(17)18-11-12-6-7-13-4-2-3-5-14(13)10-12;/h2-7,10,15H,8-9,11H2,1H3,(H2,17,18);1H.
What are the key properties of 1-cyclopropyl-1-methyl-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide?
1-cyclopropyl-1-methyl-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide has a molecular weight of 381.26 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methyl-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 110029931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).