N-[[4-[4-[(dipropylamino)methyl]phenyl]phenyl]methyl]-N-propylpropan-1-amine

C26H40N2 — CID 44588146

IUPACN-[[4-[4-[(dipropylamino)methyl]phenyl]phenyl]methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1ccc(-c2ccc(CN(CCC)CCC)cc2)cc1
InChIInChI=1S/C26H40N2/c1-5-17-27(18-6-2)21-23-9-13-25(14-10-23)26-15-11-24(12-16-26)22-28(19-7-3)20-8-4/h9-16H,5-8,17-22H2,1-4H3
InChIKeyCGLJDTUPXKUYST-UHFFFAOYSA-N
MW380.62 g/mol
LogP6.60
Rot. Bonds13

About N-[[4-[4-[(dipropylamino)methyl]phenyl]phenyl]methyl]-N-propylpropan-1-amine

N-[[4-[4-[(dipropylamino)methyl]phenyl]phenyl]methyl]-N-propylpropan-1-amine (PubChem CID 44588146) has the molecular formula C26H40N2 and a molecular weight of 380.62 g/mol. Its IUPAC name is N-[[4-[4-[(dipropylamino)methyl]phenyl]phenyl]methyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-[4-[(dipropylamino)methyl]phenyl]phenyl]methyl]-N-propylpropan-1-amine
PubChem CID44588146
Molecular FormulaC26H40N2
Molecular Weight380.62 g/mol
Exact Mass380.32
IUPAC NameN-[[4-[4-[(dipropylamino)methyl]phenyl]phenyl]methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1ccc(-c2ccc(CN(CCC)CCC)cc2)cc1
InChIInChI=1S/C26H40N2/c1-5-17-27(18-6-2)21-23-9-13-25(14-10-23)26-15-11-24(12-16-26)22-28(19-7-3)20-8-4/h9-16H,5-8,17-22H2,1-4H3
InChIKeyCGLJDTUPXKUYST-UHFFFAOYSA-N
XLogP6.60
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.62
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-[(dipropylamino)methyl]phenyl]phenyl]methyl]-N-propylpropan-1-amine?
The IUPAC name of N-[[4-[4-[(dipropylamino)methyl]phenyl]phenyl]methyl]-N-propylpropan-1-amine (CID 44588146) is N-[[4-[4-[(dipropylamino)methyl]phenyl]phenyl]methyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[[4-[4-[(dipropylamino)methyl]phenyl]phenyl]methyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[[4-[4-[(dipropylamino)methyl]phenyl]phenyl]methyl]-N-propylpropan-1-amine is CCCN(CCC)Cc1ccc(-c2ccc(CN(CCC)CCC)cc2)cc1.
What is the InChIKey of N-[[4-[4-[(dipropylamino)methyl]phenyl]phenyl]methyl]-N-propylpropan-1-amine?
The InChIKey is CGLJDTUPXKUYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N2/c1-5-17-27(18-6-2)21-23-9-13-25(14-10-23)26-15-11-24(12-16-26)22-28(19-7-3)20-8-4/h9-16H,5-8,17-22H2,1-4H3.
What are the key properties of N-[[4-[4-[(dipropylamino)methyl]phenyl]phenyl]methyl]-N-propylpropan-1-amine?
N-[[4-[4-[(dipropylamino)methyl]phenyl]phenyl]methyl]-N-propylpropan-1-amine has a molecular weight of 380.62 g/mol, XLogP of 6.60, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-[(dipropylamino)methyl]phenyl]phenyl]methyl]-N-propylpropan-1-amine is sourced from PubChem (CID 44588146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).