N-[4-[[2-[2-[4-[decyl(methyl)amino]butoxymethyl]phenyl]phenyl]methoxy]butyl]-N-methyldecan-1-amine

C44H76N2O2 — CID 139954811

IUPACN-[4-[[2-[2-[4-[decyl(methyl)amino]butoxymethyl]phenyl]phenyl]methoxy]butyl]-N-methyldecan-1-amine
SMILESCCCCCCCCCCN(C)CCCCOCc1ccccc1-c1ccccc1COCCCCN(C)CCCCCCCCCC
InChIInChI=1S/C44H76N2O2/c1-5-7-9-11-13-15-17-23-33-45(3)35-25-27-37-47-39-41-29-19-21-31-43(41)44-32-22-20-30-42(44)40-48-38-28-26-36-46(4)34-24-18-16-14-12-10-8-6-2/h19-22,29-32H,5-18,23-28,33-40H2,1-4H3
InChIKeyMUHHJOSPNDGFHM-UHFFFAOYSA-N
MW665.10 g/mol
LogP12.09
Rot. Bonds33

About N-[4-[[2-[2-[4-[decyl(methyl)amino]butoxymethyl]phenyl]phenyl]methoxy]butyl]-N-methyldecan-1-amine

N-[4-[[2-[2-[4-[decyl(methyl)amino]butoxymethyl]phenyl]phenyl]methoxy]butyl]-N-methyldecan-1-amine (PubChem CID 139954811) has the molecular formula C44H76N2O2 and a molecular weight of 665.10 g/mol. Its IUPAC name is N-[4-[[2-[2-[4-[decyl(methyl)amino]butoxymethyl]phenyl]phenyl]methoxy]butyl]-N-methyldecan-1-amine.

Molecular Properties

Compound NameN-[4-[[2-[2-[4-[decyl(methyl)amino]butoxymethyl]phenyl]phenyl]methoxy]butyl]-N-methyldecan-1-amine
PubChem CID139954811
Molecular FormulaC44H76N2O2
Molecular Weight665.10 g/mol
Exact Mass664.59
IUPAC NameN-[4-[[2-[2-[4-[decyl(methyl)amino]butoxymethyl]phenyl]phenyl]methoxy]butyl]-N-methyldecan-1-amine
SMILESCCCCCCCCCCN(C)CCCCOCc1ccccc1-c1ccccc1COCCCCN(C)CCCCCCCCCC
InChIInChI=1S/C44H76N2O2/c1-5-7-9-11-13-15-17-23-33-45(3)35-25-27-37-47-39-41-29-19-21-31-43(41)44-32-22-20-30-42(44)40-48-38-28-26-36-46(4)34-24-18-16-14-12-10-8-6-2/h19-22,29-32H,5-18,23-28,33-40H2,1-4H3
InChIKeyMUHHJOSPNDGFHM-UHFFFAOYSA-N
XLogP12.09
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds33
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.10
LogP ≤ 512.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[[2-[2-[4-[decyl(methyl)amino]butoxymethyl]phenyl]phenyl]methoxy]butyl]-N-methyldecan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[methyl(pentyl)amino]-1-[[2-[2-[[5-[methyl(pentyl)amino]-2-oxopentoxy]methyl]phenyl]phenyl]methoxy]pentan-2-one
CID 139954384
1-(hexoxymethyl)naphthalene
CID 18427527
5-[heptyl(pentyl)amino]-1-[[2-[2-[[5-[heptyl(pentyl)amino]-2-oxopentoxy]methyl]phenyl]phenyl]methoxy]pentan-2-one
CID 139954382
5-(diheptylamino)-1-[[2-[2-[[5-(diheptylamino)-2-oxopentoxy]methyl]phenyl]phenyl]methoxy]pentan-2-one
CID 139954737
[2-[2-[4-[hexyl(octyl)amino]butanoyloxymethyl]phenyl]phenyl]methyl 4-[hexyl(octyl)amino]butanoate
CID 139955644
[2-[2-[4-[heptyl(hexyl)amino]butanoyloxymethyl]phenyl]phenyl]methyl 4-[heptyl(hexyl)amino]butanoate
CID 139954126
N-ethyl-2-[2-(pentoxymethyl)phenyl]ethanamine
CID 113314855
3-hexoxy-N-methyl-N-propylpropan-1-amine
CID 155459820
4-(chloromethyl)-2-[2-(pentoxymethyl)phenyl]-1,3-thiazole
CID 43275214
[2-[2-[3-(dipentylamino)propanoyloxymethyl]phenyl]phenyl]methyl 3-(dipentylamino)propanoate
CID 139955378
N-[[2-(heptoxymethyl)phenyl]methyl]propan-2-amine
CID 63490911
bis[4-[hexadecyl(methyl)amino]butyl] benzene-1,2-dicarboxylate
CID 139953144

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[2-[4-[decyl(methyl)amino]butoxymethyl]phenyl]phenyl]methoxy]butyl]-N-methyldecan-1-amine?
The IUPAC name of N-[4-[[2-[2-[4-[decyl(methyl)amino]butoxymethyl]phenyl]phenyl]methoxy]butyl]-N-methyldecan-1-amine (CID 139954811) is N-[4-[[2-[2-[4-[decyl(methyl)amino]butoxymethyl]phenyl]phenyl]methoxy]butyl]-N-methyldecan-1-amine.
What is the SMILES notation for N-[4-[[2-[2-[4-[decyl(methyl)amino]butoxymethyl]phenyl]phenyl]methoxy]butyl]-N-methyldecan-1-amine?
The canonical SMILES for N-[4-[[2-[2-[4-[decyl(methyl)amino]butoxymethyl]phenyl]phenyl]methoxy]butyl]-N-methyldecan-1-amine is CCCCCCCCCCN(C)CCCCOCc1ccccc1-c1ccccc1COCCCCN(C)CCCCCCCCCC.
What is the InChIKey of N-[4-[[2-[2-[4-[decyl(methyl)amino]butoxymethyl]phenyl]phenyl]methoxy]butyl]-N-methyldecan-1-amine?
The InChIKey is MUHHJOSPNDGFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H76N2O2/c1-5-7-9-11-13-15-17-23-33-45(3)35-25-27-37-47-39-41-29-19-21-31-43(41)44-32-22-20-30-42(44)40-48-38-28-26-36-46(4)34-24-18-16-14-12-10-8-6-2/h19-22,29-32H,5-18,23-28,33-40H2,1-4H3.
What are the key properties of N-[4-[[2-[2-[4-[decyl(methyl)amino]butoxymethyl]phenyl]phenyl]methoxy]butyl]-N-methyldecan-1-amine?
N-[4-[[2-[2-[4-[decyl(methyl)amino]butoxymethyl]phenyl]phenyl]methoxy]butyl]-N-methyldecan-1-amine has a molecular weight of 665.10 g/mol, XLogP of 12.09, 33 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[2-[4-[decyl(methyl)amino]butoxymethyl]phenyl]phenyl]methoxy]butyl]-N-methyldecan-1-amine is sourced from PubChem (CID 139954811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).