2-[[4-[[4-[(dipropylamino)methyl]phenyl]methoxymethyl]phenyl]methyl-ethylamino]ethanimidamide

C26H40N4O — CID 88975916

IUPAC2-[[4-[[4-[(dipropylamino)methyl]phenyl]methoxymethyl]phenyl]methyl-ethylamino]ethanimidamide
SMILES[H]/N=C(\N)CN(CC)Cc1ccc(COCc2ccc(CN(CCC)CCC)cc2)cc1
InChIInChI=1S/C26H40N4O/c1-4-15-30(16-5-2)18-23-9-13-25(14-10-23)21-31-20-24-11-7-22(8-12-24)17-29(6-3)19-26(27)28/h7-14H,4-6,15-21H2,1-3H3,(H3,27,28)
InChIKeyOEELJHHUJPMQGJ-UHFFFAOYSA-N
MW424.63 g/mol
LogP4.78
Rot. Bonds15

About 2-[[4-[[4-[(dipropylamino)methyl]phenyl]methoxymethyl]phenyl]methyl-ethylamino]ethanimidamide

2-[[4-[[4-[(dipropylamino)methyl]phenyl]methoxymethyl]phenyl]methyl-ethylamino]ethanimidamide (PubChem CID 88975916) has the molecular formula C26H40N4O and a molecular weight of 424.63 g/mol. Its IUPAC name is 2-[[4-[[4-[(dipropylamino)methyl]phenyl]methoxymethyl]phenyl]methyl-ethylamino]ethanimidamide.

Molecular Properties

Compound Name2-[[4-[[4-[(dipropylamino)methyl]phenyl]methoxymethyl]phenyl]methyl-ethylamino]ethanimidamide
PubChem CID88975916
Molecular FormulaC26H40N4O
Molecular Weight424.63 g/mol
Exact Mass424.32
IUPAC Name2-[[4-[[4-[(dipropylamino)methyl]phenyl]methoxymethyl]phenyl]methyl-ethylamino]ethanimidamide
SMILES[H]/N=C(\N)CN(CC)Cc1ccc(COCc2ccc(CN(CCC)CCC)cc2)cc1
InChIInChI=1S/C26H40N4O/c1-4-15-30(16-5-2)18-23-9-13-25(14-10-23)21-31-20-24-11-7-22(8-12-24)17-29(6-3)19-26(27)28/h7-14H,4-6,15-21H2,1-3H3,(H3,27,28)
InChIKeyOEELJHHUJPMQGJ-UHFFFAOYSA-N
XLogP4.78
TPSA65.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.63
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[4-[(dipropylamino)methyl]phenyl]methoxymethyl]phenyl]methyl-ethylamino]ethanimidamide?
The IUPAC name of 2-[[4-[[4-[(dipropylamino)methyl]phenyl]methoxymethyl]phenyl]methyl-ethylamino]ethanimidamide (CID 88975916) is 2-[[4-[[4-[(dipropylamino)methyl]phenyl]methoxymethyl]phenyl]methyl-ethylamino]ethanimidamide.
What is the SMILES notation for 2-[[4-[[4-[(dipropylamino)methyl]phenyl]methoxymethyl]phenyl]methyl-ethylamino]ethanimidamide?
The canonical SMILES for 2-[[4-[[4-[(dipropylamino)methyl]phenyl]methoxymethyl]phenyl]methyl-ethylamino]ethanimidamide is [H]/N=C(\N)CN(CC)Cc1ccc(COCc2ccc(CN(CCC)CCC)cc2)cc1.
What is the InChIKey of 2-[[4-[[4-[(dipropylamino)methyl]phenyl]methoxymethyl]phenyl]methyl-ethylamino]ethanimidamide?
The InChIKey is OEELJHHUJPMQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N4O/c1-4-15-30(16-5-2)18-23-9-13-25(14-10-23)21-31-20-24-11-7-22(8-12-24)17-29(6-3)19-26(27)28/h7-14H,4-6,15-21H2,1-3H3,(H3,27,28).
What are the key properties of 2-[[4-[[4-[(dipropylamino)methyl]phenyl]methoxymethyl]phenyl]methyl-ethylamino]ethanimidamide?
2-[[4-[[4-[(dipropylamino)methyl]phenyl]methoxymethyl]phenyl]methyl-ethylamino]ethanimidamide has a molecular weight of 424.63 g/mol, XLogP of 4.78, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[4-[(dipropylamino)methyl]phenyl]methoxymethyl]phenyl]methyl-ethylamino]ethanimidamide is sourced from PubChem (CID 88975916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).