N-(3-methoxypropyl)-N-methyl-2-[1-(propylamino)propyl]aniline

C17H30N2O — CID 115995187

IUPACN-(3-methoxypropyl)-N-methyl-2-[1-(propylamino)propyl]aniline
SMILESCCCNC(CC)c1ccccc1N(C)CCCOC
InChIInChI=1S/C17H30N2O/c1-5-12-18-16(6-2)15-10-7-8-11-17(15)19(3)13-9-14-20-4/h7-8,10-11,16,18H,5-6,9,12-14H2,1-4H3
InChIKeyBMDAMDZDSPHIQP-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.61
Rot. Bonds10

About N-(3-methoxypropyl)-N-methyl-2-[1-(propylamino)propyl]aniline

N-(3-methoxypropyl)-N-methyl-2-[1-(propylamino)propyl]aniline (PubChem CID 115995187) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N-methyl-2-[1-(propylamino)propyl]aniline.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N-methyl-2-[1-(propylamino)propyl]aniline
PubChem CID115995187
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-(3-methoxypropyl)-N-methyl-2-[1-(propylamino)propyl]aniline
SMILESCCCNC(CC)c1ccccc1N(C)CCCOC
InChIInChI=1S/C17H30N2O/c1-5-12-18-16(6-2)15-10-7-8-11-17(15)19(3)13-9-14-20-4/h7-8,10-11,16,18H,5-6,9,12-14H2,1-4H3
InChIKeyBMDAMDZDSPHIQP-UHFFFAOYSA-N
XLogP3.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.61
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-2-[1-(propylamino)propyl]aniline 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,N,N'-trimethyl-N'-[2-[1-(propylamino)propyl]phenyl]ethane-1,2-diamine
CID 115995247
1-[2-[3-methoxypropyl(methyl)amino]phenyl]propan-1-ol
CID 112678949
N-methyl-N-(2-methylsulfonylethyl)-2-[1-(propylamino)propyl]aniline
CID 115995349
N-cyclopropyl-N-(2-methoxyethyl)-2-[1-(propylamino)propyl]aniline
CID 115995005
N-(cyclopropylmethyl)-N-methyl-2-[1-(propylamino)propyl]aniline
CID 112677945
N-butan-2-yl-N-methyl-2-[1-(propylamino)propyl]aniline
CID 112677858
2-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylaniline
CID 78935486
N-(3-methoxypropyl)-N-methyl-2-(propylaminomethyl)aniline
CID 55141079
1-[2-[1-(ethylamino)propyl]-N-methylanilino]-3-methoxypropan-2-ol
CID 115995040
3-fluoro-N-(3-methoxypropyl)-N-methyl-2-[1-(propylamino)ethyl]aniline
CID 63009989
N-methyl-2-[1-(propylamino)propyl]-N-(thiophen-2-ylmethyl)aniline
CID 115994862
N'-(3-methoxypropyl)-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
CID 63008472

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-N-methyl-2-[1-(propylamino)propyl]aniline?
The IUPAC name of N-(3-methoxypropyl)-N-methyl-2-[1-(propylamino)propyl]aniline (CID 115995187) is N-(3-methoxypropyl)-N-methyl-2-[1-(propylamino)propyl]aniline.
What is the SMILES notation for N-(3-methoxypropyl)-N-methyl-2-[1-(propylamino)propyl]aniline?
The canonical SMILES for N-(3-methoxypropyl)-N-methyl-2-[1-(propylamino)propyl]aniline is CCCNC(CC)c1ccccc1N(C)CCCOC.
What is the InChIKey of N-(3-methoxypropyl)-N-methyl-2-[1-(propylamino)propyl]aniline?
The InChIKey is BMDAMDZDSPHIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-12-18-16(6-2)15-10-7-8-11-17(15)19(3)13-9-14-20-4/h7-8,10-11,16,18H,5-6,9,12-14H2,1-4H3.
What are the key properties of N-(3-methoxypropyl)-N-methyl-2-[1-(propylamino)propyl]aniline?
N-(3-methoxypropyl)-N-methyl-2-[1-(propylamino)propyl]aniline has a molecular weight of 278.44 g/mol, XLogP of 3.61, 10 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-2-[1-(propylamino)propyl]aniline is sourced from PubChem (CID 115995187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).