3-amino-1-methyl-1-(4-methylpentan-2-yl)-2-phenylguanidine

C14H24N4 — CID 116514645

IUPAC3-amino-1-methyl-1-(4-methylpentan-2-yl)-2-phenylguanidine
SMILESCC(C)CC(C)N(C)/C(=N/c1ccccc1)NN
InChIInChI=1S/C14H24N4/c1-11(2)10-12(3)18(4)14(17-15)16-13-8-6-5-7-9-13/h5-9,11-12H,10,15H2,1-4H3,(H,16,17)
InChIKeyFWVQHWQNONKBPG-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.50
Rot. Bonds4

About 3-amino-1-methyl-1-(4-methylpentan-2-yl)-2-phenylguanidine

3-amino-1-methyl-1-(4-methylpentan-2-yl)-2-phenylguanidine (PubChem CID 116514645) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-amino-1-methyl-1-(4-methylpentan-2-yl)-2-phenylguanidine.

Molecular Properties

Compound Name3-amino-1-methyl-1-(4-methylpentan-2-yl)-2-phenylguanidine
PubChem CID116514645
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name3-amino-1-methyl-1-(4-methylpentan-2-yl)-2-phenylguanidine
SMILESCC(C)CC(C)N(C)/C(=N/c1ccccc1)NN
InChIInChI=1S/C14H24N4/c1-11(2)10-12(3)18(4)14(17-15)16-13-8-6-5-7-9-13/h5-9,11-12H,10,15H2,1-4H3,(H,16,17)
InChIKeyFWVQHWQNONKBPG-UHFFFAOYSA-N
XLogP2.50
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-1,1-bis(2-methylpropyl)-2-phenylguanidine
CID 116513758
3-amino-1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-2-phenylguanidine
CID 116513793
3-amino-1-cyclopropyl-1-ethyl-2-phenylguanidine
CID 116513151
3-amino-1-methyl-1-[(2-methylcyclopropyl)methyl]-2-phenylguanidine
CID 116515340
3-amino-1-[(4-chlorophenyl)methyl]-1-methyl-2-phenylguanidine
CID 116514725
3-amino-1-ethyl-1-(furan-2-ylmethyl)-2-phenylguanidine
CID 116514654
3-amino-1-[(5-chlorothiophen-2-yl)methyl]-1-methyl-2-phenylguanidine
CID 116513843
3-amino-1-methyl-2-(2-methylpropyl)-1-phenylguanidine
CID 116512868
3-amino-1-ethyl-1-(3-fluorophenyl)-2-phenylguanidine
CID 116514116
3-amino-1-ethyl-2-phenyl-1-(thiophen-2-ylmethyl)guanidine
CID 116514467
N-amino-3-[(4-hydrazinyl-4-phenyliminobutan-2-yl)diazenyl]-N'-phenylbutanimidamide
CID 69433881
(2R)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-3-phenylpropanamide
CID 78985610

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-1-(4-methylpentan-2-yl)-2-phenylguanidine?
The IUPAC name of 3-amino-1-methyl-1-(4-methylpentan-2-yl)-2-phenylguanidine (CID 116514645) is 3-amino-1-methyl-1-(4-methylpentan-2-yl)-2-phenylguanidine.
What is the SMILES notation for 3-amino-1-methyl-1-(4-methylpentan-2-yl)-2-phenylguanidine?
The canonical SMILES for 3-amino-1-methyl-1-(4-methylpentan-2-yl)-2-phenylguanidine is CC(C)CC(C)N(C)/C(=N/c1ccccc1)NN.
What is the InChIKey of 3-amino-1-methyl-1-(4-methylpentan-2-yl)-2-phenylguanidine?
The InChIKey is FWVQHWQNONKBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-11(2)10-12(3)18(4)14(17-15)16-13-8-6-5-7-9-13/h5-9,11-12H,10,15H2,1-4H3,(H,16,17).
What are the key properties of 3-amino-1-methyl-1-(4-methylpentan-2-yl)-2-phenylguanidine?
3-amino-1-methyl-1-(4-methylpentan-2-yl)-2-phenylguanidine has a molecular weight of 248.37 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-1-(4-methylpentan-2-yl)-2-phenylguanidine is sourced from PubChem (CID 116514645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).