1-N,1-N,3-N,3-N-tetraethyl-2-N-[(4-methoxyphenyl)methyl]propane-1,2,3-triamine

C19H35N3O — CID 51039758

IUPAC1-N,1-N,3-N,3-N-tetraethyl-2-N-[(4-methoxyphenyl)methyl]propane-1,2,3-triamine
SMILESCCN(CC)CC(CN(CC)CC)NCc1ccc(OC)cc1
InChIInChI=1S/C19H35N3O/c1-6-21(7-2)15-18(16-22(8-3)9-4)20-14-17-10-12-19(23-5)13-11-17/h10-13,18,20H,6-9,14-16H2,1-5H3
InChIKeyQPXMYWRKKKEPFJ-UHFFFAOYSA-N
MW321.51 g/mol
LogP2.84
Rot. Bonds12

About 1-N,1-N,3-N,3-N-tetraethyl-2-N-[(4-methoxyphenyl)methyl]propane-1,2,3-triamine

1-N,1-N,3-N,3-N-tetraethyl-2-N-[(4-methoxyphenyl)methyl]propane-1,2,3-triamine (PubChem CID 51039758) has the molecular formula C19H35N3O and a molecular weight of 321.51 g/mol. Its IUPAC name is 1-N,1-N,3-N,3-N-tetraethyl-2-N-[(4-methoxyphenyl)methyl]propane-1,2,3-triamine.

Molecular Properties

Compound Name1-N,1-N,3-N,3-N-tetraethyl-2-N-[(4-methoxyphenyl)methyl]propane-1,2,3-triamine
PubChem CID51039758
Molecular FormulaC19H35N3O
Molecular Weight321.51 g/mol
Exact Mass321.28
IUPAC Name1-N,1-N,3-N,3-N-tetraethyl-2-N-[(4-methoxyphenyl)methyl]propane-1,2,3-triamine
SMILESCCN(CC)CC(CN(CC)CC)NCc1ccc(OC)cc1
InChIInChI=1S/C19H35N3O/c1-6-21(7-2)15-18(16-22(8-3)9-4)20-14-17-10-12-19(23-5)13-11-17/h10-13,18,20H,6-9,14-16H2,1-5H3
InChIKeyQPXMYWRKKKEPFJ-UHFFFAOYSA-N
XLogP2.84
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-N,3-N-tetraethyl-2-N-[(4-methoxyphenyl)methyl]propane-1,2,3-triamine?
The IUPAC name of 1-N,1-N,3-N,3-N-tetraethyl-2-N-[(4-methoxyphenyl)methyl]propane-1,2,3-triamine (CID 51039758) is 1-N,1-N,3-N,3-N-tetraethyl-2-N-[(4-methoxyphenyl)methyl]propane-1,2,3-triamine.
What is the SMILES notation for 1-N,1-N,3-N,3-N-tetraethyl-2-N-[(4-methoxyphenyl)methyl]propane-1,2,3-triamine?
The canonical SMILES for 1-N,1-N,3-N,3-N-tetraethyl-2-N-[(4-methoxyphenyl)methyl]propane-1,2,3-triamine is CCN(CC)CC(CN(CC)CC)NCc1ccc(OC)cc1.
What is the InChIKey of 1-N,1-N,3-N,3-N-tetraethyl-2-N-[(4-methoxyphenyl)methyl]propane-1,2,3-triamine?
The InChIKey is QPXMYWRKKKEPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O/c1-6-21(7-2)15-18(16-22(8-3)9-4)20-14-17-10-12-19(23-5)13-11-17/h10-13,18,20H,6-9,14-16H2,1-5H3.
What are the key properties of 1-N,1-N,3-N,3-N-tetraethyl-2-N-[(4-methoxyphenyl)methyl]propane-1,2,3-triamine?
1-N,1-N,3-N,3-N-tetraethyl-2-N-[(4-methoxyphenyl)methyl]propane-1,2,3-triamine has a molecular weight of 321.51 g/mol, XLogP of 2.84, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-N,3-N-tetraethyl-2-N-[(4-methoxyphenyl)methyl]propane-1,2,3-triamine is sourced from PubChem (CID 51039758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).