1-(2-methylpropyl)-2-[(4-propan-2-ylphenyl)methyl]guanidine

C15H25N3 — CID 62362032

IUPAC1-(2-methylpropyl)-2-[(4-propan-2-ylphenyl)methyl]guanidine
SMILESCC(C)CN/C(N)=N/Cc1ccc(C(C)C)cc1
InChIInChI=1S/C15H25N3/c1-11(2)9-17-15(16)18-10-13-5-7-14(8-6-13)12(3)4/h5-8,11-12H,9-10H2,1-4H3,(H3,16,17,18)
InChIKeyWHKXBCYLYIBWBD-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.87
Rot. Bonds5

About 1-(2-methylpropyl)-2-[(4-propan-2-ylphenyl)methyl]guanidine

1-(2-methylpropyl)-2-[(4-propan-2-ylphenyl)methyl]guanidine (PubChem CID 62362032) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2-[(4-propan-2-ylphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-(2-methylpropyl)-2-[(4-propan-2-ylphenyl)methyl]guanidine
PubChem CID62362032
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-(2-methylpropyl)-2-[(4-propan-2-ylphenyl)methyl]guanidine
SMILESCC(C)CN/C(N)=N/Cc1ccc(C(C)C)cc1
InChIInChI=1S/C15H25N3/c1-11(2)9-17-15(16)18-10-13-5-7-14(8-6-13)12(3)4/h5-8,11-12H,9-10H2,1-4H3,(H3,16,17,18)
InChIKeyWHKXBCYLYIBWBD-UHFFFAOYSA-N
XLogP2.87
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.87
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

1-(2-methylpropyl)-2-(pyridin-4-ylmethyl)guanidine
CID 62362186
2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(2-methylpropyl)guanidine
CID 111061293
2-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-(2-methylpropyl)guanidine
CID 111087115
N-[4-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]phenyl]-2-methylpropanamide;hydroiodide
CID 111040435
2-[(4-fluoro-3-methylphenyl)methyl]-1-(2-methylpropyl)guanidine
CID 111038501
2-[(3-fluorophenyl)methyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 110912118
1-(2-methylpropyl)-2-(pyridin-3-ylmethyl)guanidine
CID 62361961
2-[(4-chlorophenyl)methyl]-1-(3-methylbutyl)guanidine
CID 111022749
2-[(3-bromo-4-methoxyphenyl)methyl]-1-(2-methylpropyl)guanidine
CID 111095628
2-[(4-methoxy-3-methylphenyl)methyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 111095709
1-(2-methylpropyl)-2-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]guanidine
CID 111080445
2-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-1-(2-methylpropyl)guanidine
CID 111805056

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-2-[(4-propan-2-ylphenyl)methyl]guanidine?
The IUPAC name of 1-(2-methylpropyl)-2-[(4-propan-2-ylphenyl)methyl]guanidine (CID 62362032) is 1-(2-methylpropyl)-2-[(4-propan-2-ylphenyl)methyl]guanidine.
What is the SMILES notation for 1-(2-methylpropyl)-2-[(4-propan-2-ylphenyl)methyl]guanidine?
The canonical SMILES for 1-(2-methylpropyl)-2-[(4-propan-2-ylphenyl)methyl]guanidine is CC(C)CN/C(N)=N/Cc1ccc(C(C)C)cc1.
What is the InChIKey of 1-(2-methylpropyl)-2-[(4-propan-2-ylphenyl)methyl]guanidine?
The InChIKey is WHKXBCYLYIBWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-11(2)9-17-15(16)18-10-13-5-7-14(8-6-13)12(3)4/h5-8,11-12H,9-10H2,1-4H3,(H3,16,17,18).
What are the key properties of 1-(2-methylpropyl)-2-[(4-propan-2-ylphenyl)methyl]guanidine?
1-(2-methylpropyl)-2-[(4-propan-2-ylphenyl)methyl]guanidine has a molecular weight of 247.39 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-2-[(4-propan-2-ylphenyl)methyl]guanidine is sourced from PubChem (CID 62362032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).