1-[4-[5-[4-[amino-(propan-2-ylamino)methyl]phenyl]furan-2-yl]phenyl]-N'-propan-2-ylmethanediamine

C24H32N4O — CID 4628692

IUPAC1-[4-[5-[4-[amino-(propan-2-ylamino)methyl]phenyl]furan-2-yl]phenyl]-N'-propan-2-ylmethanediamine
SMILESCC(C)NC(N)c1ccc(-c2ccc(-c3ccc(C(N)NC(C)C)cc3)o2)cc1
InChIInChI=1S/C24H32N4O/c1-15(2)27-23(25)19-9-5-17(6-10-19)21-13-14-22(29-21)18-7-11-20(12-8-18)24(26)28-16(3)4/h5-16,23-24,27-28H,25-26H2,1-4H3
InChIKeyMLUJKSDBDBJFEG-UHFFFAOYSA-N
MW392.55 g/mol
LogP4.52
Rot. Bonds8

About 1-[4-[5-[4-[amino-(propan-2-ylamino)methyl]phenyl]furan-2-yl]phenyl]-N'-propan-2-ylmethanediamine

1-[4-[5-[4-[amino-(propan-2-ylamino)methyl]phenyl]furan-2-yl]phenyl]-N'-propan-2-ylmethanediamine (PubChem CID 4628692) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is 1-[4-[5-[4-[amino-(propan-2-ylamino)methyl]phenyl]furan-2-yl]phenyl]-N'-propan-2-ylmethanediamine.

Molecular Properties

Compound Name1-[4-[5-[4-[amino-(propan-2-ylamino)methyl]phenyl]furan-2-yl]phenyl]-N'-propan-2-ylmethanediamine
PubChem CID4628692
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC Name1-[4-[5-[4-[amino-(propan-2-ylamino)methyl]phenyl]furan-2-yl]phenyl]-N'-propan-2-ylmethanediamine
SMILESCC(C)NC(N)c1ccc(-c2ccc(-c3ccc(C(N)NC(C)C)cc3)o2)cc1
InChIInChI=1S/C24H32N4O/c1-15(2)27-23(25)19-9-5-17(6-10-19)21-13-14-22(29-21)18-7-11-20(12-8-18)24(26)28-16(3)4/h5-16,23-24,27-28H,25-26H2,1-4H3
InChIKeyMLUJKSDBDBJFEG-UHFFFAOYSA-N
XLogP4.52
TPSA89.24 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 54.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[4-[amino-(propan-2-ylamino)methyl]phenyl]furan-2-yl]phenyl]-N'-propan-2-ylmethanediamine?
The IUPAC name of 1-[4-[5-[4-[amino-(propan-2-ylamino)methyl]phenyl]furan-2-yl]phenyl]-N'-propan-2-ylmethanediamine (CID 4628692) is 1-[4-[5-[4-[amino-(propan-2-ylamino)methyl]phenyl]furan-2-yl]phenyl]-N'-propan-2-ylmethanediamine.
What is the SMILES notation for 1-[4-[5-[4-[amino-(propan-2-ylamino)methyl]phenyl]furan-2-yl]phenyl]-N'-propan-2-ylmethanediamine?
The canonical SMILES for 1-[4-[5-[4-[amino-(propan-2-ylamino)methyl]phenyl]furan-2-yl]phenyl]-N'-propan-2-ylmethanediamine is CC(C)NC(N)c1ccc(-c2ccc(-c3ccc(C(N)NC(C)C)cc3)o2)cc1.
What is the InChIKey of 1-[4-[5-[4-[amino-(propan-2-ylamino)methyl]phenyl]furan-2-yl]phenyl]-N'-propan-2-ylmethanediamine?
The InChIKey is MLUJKSDBDBJFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O/c1-15(2)27-23(25)19-9-5-17(6-10-19)21-13-14-22(29-21)18-7-11-20(12-8-18)24(26)28-16(3)4/h5-16,23-24,27-28H,25-26H2,1-4H3.
What are the key properties of 1-[4-[5-[4-[amino-(propan-2-ylamino)methyl]phenyl]furan-2-yl]phenyl]-N'-propan-2-ylmethanediamine?
1-[4-[5-[4-[amino-(propan-2-ylamino)methyl]phenyl]furan-2-yl]phenyl]-N'-propan-2-ylmethanediamine has a molecular weight of 392.55 g/mol, XLogP of 4.52, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[4-[amino-(propan-2-ylamino)methyl]phenyl]furan-2-yl]phenyl]-N'-propan-2-ylmethanediamine is sourced from PubChem (CID 4628692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).