3-(4-methylpentoxy)-3-phenylpropanimidamide

C15H24N2O — CID 115002951

IUPAC3-(4-methylpentoxy)-3-phenylpropanimidamide
SMILES[H]/N=C(\N)CC(OCCCC(C)C)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-12(2)7-6-10-18-14(11-15(16)17)13-8-4-3-5-9-13/h3-5,8-9,12,14H,6-7,10-11H2,1-2H3,(H3,16,17)
InChIKeySQBXCTYNVDEWDF-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.51
Rot. Bonds8

About 3-(4-methylpentoxy)-3-phenylpropanimidamide

3-(4-methylpentoxy)-3-phenylpropanimidamide (PubChem CID 115002951) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-(4-methylpentoxy)-3-phenylpropanimidamide.

Molecular Properties

Compound Name3-(4-methylpentoxy)-3-phenylpropanimidamide
PubChem CID115002951
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-(4-methylpentoxy)-3-phenylpropanimidamide
SMILES[H]/N=C(\N)CC(OCCCC(C)C)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-12(2)7-6-10-18-14(11-15(16)17)13-8-4-3-5-9-13/h3-5,8-9,12,14H,6-7,10-11H2,1-2H3,(H3,16,17)
InChIKeySQBXCTYNVDEWDF-UHFFFAOYSA-N
XLogP3.51
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-[[3-(Methoxymethyl)phenyl]methyl]-4,5-dihydropyrimidine-2,6-diamine
CID 44344752
5-[[3-(Butoxymethyl)phenyl]methyl]-4,5-dihydropyrimidine-2,6-diamine
CID 44344763
Acetamidine, 2-ethoxy-N-isopropyl-2-phenyl-
CID 39457
Acetamidine, 2-ethoxy-N-hexyl-2-phenyl-
CID 47189
Acetamidine, 2-ethoxy-N-isobutyl-2-phenyl-
CID 47190
Ethoxy-N-(3-methoxypropyl)phenylethanimidamide
CID 47191
Acetamidine, 2-ethoxy-2-phenyl-
CID 47193
Ethoxy(phenyl)-N-propylethanimidamide
CID 47194
N-Butyl(ethoxy)phenylethanimidamide
CID 47200
N-Hydroxy(phenyl)propoxyethanimidamide
CID 9570525
Acetamidoxime, 2-ethoxy-2-(p-tolyl)-
CID 9570589
2-(Benzyloxy)acetimidamide hydrochloride
CID 19432669

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpentoxy)-3-phenylpropanimidamide?
The IUPAC name of 3-(4-methylpentoxy)-3-phenylpropanimidamide (CID 115002951) is 3-(4-methylpentoxy)-3-phenylpropanimidamide.
What is the SMILES notation for 3-(4-methylpentoxy)-3-phenylpropanimidamide?
The canonical SMILES for 3-(4-methylpentoxy)-3-phenylpropanimidamide is [H]/N=C(\N)CC(OCCCC(C)C)c1ccccc1.
What is the InChIKey of 3-(4-methylpentoxy)-3-phenylpropanimidamide?
The InChIKey is SQBXCTYNVDEWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(2)7-6-10-18-14(11-15(16)17)13-8-4-3-5-9-13/h3-5,8-9,12,14H,6-7,10-11H2,1-2H3,(H3,16,17).
What are the key properties of 3-(4-methylpentoxy)-3-phenylpropanimidamide?
3-(4-methylpentoxy)-3-phenylpropanimidamide has a molecular weight of 248.37 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpentoxy)-3-phenylpropanimidamide is sourced from PubChem (CID 115002951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).