2-(2,2-dimethyl-3-phenylpropyl)guanidine;hydroiodide

C12H20IN3 — CID 111425055

IUPAC2-(2,2-dimethyl-3-phenylpropyl)guanidine;hydroiodide
SMILESCC(C)(CN=C(N)N)Cc1ccccc1.I
InChIInChI=1S/C12H19N3.HI/c1-12(2,9-15-11(13)14)8-10-6-4-3-5-7-10;/h3-7H,8-9H2,1-2H3,(H4,13,14,15);1H
InChIKeyNFULXDRVEHWXGO-UHFFFAOYSA-N
MW333.22 g/mol
LogP2.15
Rot. Bonds4

About 2-(2,2-dimethyl-3-phenylpropyl)guanidine;hydroiodide

2-(2,2-dimethyl-3-phenylpropyl)guanidine;hydroiodide (PubChem CID 111425055) has the molecular formula C12H20IN3 and a molecular weight of 333.22 g/mol. Its IUPAC name is 2-(2,2-dimethyl-3-phenylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(2,2-dimethyl-3-phenylpropyl)guanidine;hydroiodide
PubChem CID111425055
Molecular FormulaC12H20IN3
Molecular Weight333.22 g/mol
Exact Mass333.07
IUPAC Name2-(2,2-dimethyl-3-phenylpropyl)guanidine;hydroiodide
SMILESCC(C)(CN=C(N)N)Cc1ccccc1.I
InChIInChI=1S/C12H19N3.HI/c1-12(2,9-15-11(13)14)8-10-6-4-3-5-7-10;/h3-7H,8-9H2,1-2H3,(H4,13,14,15);1H
InChIKeyNFULXDRVEHWXGO-UHFFFAOYSA-N
XLogP2.15
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 52.15
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

2-(2,2-dimethyl-3-phenylpropyl)-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111815533
N'-(2,2-dimethyl-3-phenylpropyl)thiomorpholine-4-carboximidamide
CID 111815528
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,2-dimethyl-3-phenylpropyl)guanidine;hydroiodide
CID 111815517
2-(2-ethyl-2-phenylbutyl)guanidine;hydroiodide
CID 75494302
azane;2,2-dimethylbutylbenzene
CID 175285583
2,2-dimethyl-N'-(2-methyl-1-phenylpropan-2-yl)propanimidamide
CID 113360565
2,2-dimethylpropylbenzene;methanol
CID 157125736
2-amino-N-(2,2-dimethyl-3-phenylpropyl)acetamide
CID 119329644
2,2-dimethylpentylbenzene
CID 15727699
(2R)-2-hydroxy-2-methyl-3-phenylpropanamide
CID 11389739
2-(2,2-dimethyl-3-phenylpropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111979093
(4,4-difluoro-2,2-dimethylpentyl)benzene
CID 155030658

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-3-phenylpropyl)guanidine;hydroiodide?
The IUPAC name of 2-(2,2-dimethyl-3-phenylpropyl)guanidine;hydroiodide (CID 111425055) is 2-(2,2-dimethyl-3-phenylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(2,2-dimethyl-3-phenylpropyl)guanidine;hydroiodide?
The canonical SMILES for 2-(2,2-dimethyl-3-phenylpropyl)guanidine;hydroiodide is CC(C)(CN=C(N)N)Cc1ccccc1.I.
What is the InChIKey of 2-(2,2-dimethyl-3-phenylpropyl)guanidine;hydroiodide?
The InChIKey is NFULXDRVEHWXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3.HI/c1-12(2,9-15-11(13)14)8-10-6-4-3-5-7-10;/h3-7H,8-9H2,1-2H3,(H4,13,14,15);1H.
What are the key properties of 2-(2,2-dimethyl-3-phenylpropyl)guanidine;hydroiodide?
2-(2,2-dimethyl-3-phenylpropyl)guanidine;hydroiodide has a molecular weight of 333.22 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-3-phenylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111425055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).