2-(2,2-dimethyl-5-phenylpentyl)-1-propan-2-ylguanidine

C17H29N3 — CID 111813102

IUPAC2-(2,2-dimethyl-5-phenylpentyl)-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/CC(C)(C)CCCc1ccccc1
InChIInChI=1S/C17H29N3/c1-14(2)20-16(18)19-13-17(3,4)12-8-11-15-9-6-5-7-10-15/h5-7,9-10,14H,8,11-13H2,1-4H3,(H3,18,19,20)
InChIKeyWROBSDRBXKQRHU-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.35
Rot. Bonds7

About 2-(2,2-dimethyl-5-phenylpentyl)-1-propan-2-ylguanidine

2-(2,2-dimethyl-5-phenylpentyl)-1-propan-2-ylguanidine (PubChem CID 111813102) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-(2,2-dimethyl-5-phenylpentyl)-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-(2,2-dimethyl-5-phenylpentyl)-1-propan-2-ylguanidine
PubChem CID111813102
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2-(2,2-dimethyl-5-phenylpentyl)-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/CC(C)(C)CCCc1ccccc1
InChIInChI=1S/C17H29N3/c1-14(2)20-16(18)19-13-17(3,4)12-8-11-15-9-6-5-7-10-15/h5-7,9-10,14H,8,11-13H2,1-4H3,(H3,18,19,20)
InChIKeyWROBSDRBXKQRHU-UHFFFAOYSA-N
XLogP3.35
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.35
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'}

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Related Compounds

2-(2,2-dimethyl-5-phenylpentyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111813103
2-(5-hydroxy-2,2-dimethylpentyl)-1-propan-2-ylguanidine
CID 106148874
2-(2-methyl-2-phenylpropyl)-1-propan-2-ylguanidine
CID 62363532
2-[2-(2-fluorophenyl)-2-methylpropyl]-1-propan-2-ylguanidine
CID 111095348
2-[2-(4-ethylphenyl)-2-methylpropyl]-1-propan-2-ylguanidine
CID 111859843
2-[3-(dibenzylamino)propyl]-1-propan-2-ylguanidine
CID 111722085
2-(3-anilinopropyl)-1-propan-2-ylguanidine;hydroiodide
CID 111088147
2-(2-phenoxyethyl)-1-propan-2-ylguanidine
CID 62361568
2-[2-(dimethylamino)-2-phenylethyl]-1-propan-2-ylguanidine
CID 111026200
(5-chloro-4,4-dimethylpentyl)benzene
CID 66059754
2-[3-(2-phenylmethoxyethoxy)propyl]-1-propan-2-ylguanidine;hydroiodide
CID 110018543
1-amino-2-(2-phenylethyl)-3-propan-2-ylguanidine
CID 116512281

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-5-phenylpentyl)-1-propan-2-ylguanidine?
The IUPAC name of 2-(2,2-dimethyl-5-phenylpentyl)-1-propan-2-ylguanidine (CID 111813102) is 2-(2,2-dimethyl-5-phenylpentyl)-1-propan-2-ylguanidine.
What is the SMILES notation for 2-(2,2-dimethyl-5-phenylpentyl)-1-propan-2-ylguanidine?
The canonical SMILES for 2-(2,2-dimethyl-5-phenylpentyl)-1-propan-2-ylguanidine is CC(C)N/C(N)=N/CC(C)(C)CCCc1ccccc1.
What is the InChIKey of 2-(2,2-dimethyl-5-phenylpentyl)-1-propan-2-ylguanidine?
The InChIKey is WROBSDRBXKQRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-14(2)20-16(18)19-13-17(3,4)12-8-11-15-9-6-5-7-10-15/h5-7,9-10,14H,8,11-13H2,1-4H3,(H3,18,19,20).
What are the key properties of 2-(2,2-dimethyl-5-phenylpentyl)-1-propan-2-ylguanidine?
2-(2,2-dimethyl-5-phenylpentyl)-1-propan-2-ylguanidine has a molecular weight of 275.44 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-5-phenylpentyl)-1-propan-2-ylguanidine is sourced from PubChem (CID 111813102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).