N'-(3-methoxypropyl)-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine

C17H30N2O — CID 63008472

IUPACN'-(3-methoxypropyl)-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
SMILESCCCNC(CCN(C)CCCOC)c1ccccc1
InChIInChI=1S/C17H30N2O/c1-4-12-18-17(16-9-6-5-7-10-16)11-14-19(2)13-8-15-20-3/h5-7,9-10,17-18H,4,8,11-15H2,1-3H3
InChIKeyQJDAXXHMSKQFMP-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.09
Rot. Bonds11

About N'-(3-methoxypropyl)-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine

N'-(3-methoxypropyl)-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine (PubChem CID 63008472) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N'-(3-methoxypropyl)-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-methoxypropyl)-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
PubChem CID63008472
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN'-(3-methoxypropyl)-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
SMILESCCCNC(CCN(C)CCCOC)c1ccccc1
InChIInChI=1S/C17H30N2O/c1-4-12-18-17(16-9-6-5-7-10-16)11-14-19(2)13-8-15-20-3/h5-7,9-10,17-18H,4,8,11-15H2,1-3H3
InChIKeyQJDAXXHMSKQFMP-UHFFFAOYSA-N
XLogP3.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(3-methoxypropyl)-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine 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

N'-(3-methoxypropyl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine
CID 55140895
N'-[2-(dimethylamino)ethyl]-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
CID 63699477
N'-ethyl-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62611599
N'-(2-methoxyethyl)-N'-methyl-N-(1-phenylbutyl)ethane-1,2-diamine
CID 62844460
N'-(2-methoxyethyl)-N'-methyl-N-(1-phenylhexyl)ethane-1,2-diamine
CID 62844664
1-(4-bromophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 62617256
1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 62643008
1-(3-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 62624520
2-N-(3-methoxypropyl)-2-N-methyl-1-phenyl-1-N-propylbutane-1,2-diamine
CID 62985023
N'-[3-(dimethylamino)propyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
CID 63699665
1-(4-fluorophenyl)-N'-methyl-N'-pentyl-N-propylpropane-1,3-diamine
CID 63484521
N-ethyl-N'-(3-methoxypropyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
CID 63009908

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxypropyl)-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine?
The IUPAC name of N'-(3-methoxypropyl)-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine (CID 63008472) is N'-(3-methoxypropyl)-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine.
What is the SMILES notation for N'-(3-methoxypropyl)-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine?
The canonical SMILES for N'-(3-methoxypropyl)-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine is CCCNC(CCN(C)CCCOC)c1ccccc1.
What is the InChIKey of N'-(3-methoxypropyl)-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine?
The InChIKey is QJDAXXHMSKQFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-4-12-18-17(16-9-6-5-7-10-16)11-14-19(2)13-8-15-20-3/h5-7,9-10,17-18H,4,8,11-15H2,1-3H3.
What are the key properties of N'-(3-methoxypropyl)-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine?
N'-(3-methoxypropyl)-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.09, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxypropyl)-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine is sourced from PubChem (CID 63008472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).