N'-[2-(2-aminopropyl)phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine

C16H29N3 — CID 55236815

IUPACN'-[2-(2-aminopropyl)phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)c1ccccc1CC(C)N
InChIInChI=1S/C16H29N3/c1-5-10-19(12-11-18(3)4)16-9-7-6-8-15(16)13-14(2)17/h6-9,14H,5,10-13,17H2,1-4H3
InChIKeyFXIBMZXTAWLMNA-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.35
Rot. Bonds8

About N'-[2-(2-aminopropyl)phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine

N'-[2-(2-aminopropyl)phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (PubChem CID 55236815) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N'-[2-(2-aminopropyl)phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(2-aminopropyl)phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
PubChem CID55236815
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN'-[2-(2-aminopropyl)phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)c1ccccc1CC(C)N
InChIInChI=1S/C16H29N3/c1-5-10-19(12-11-18(3)4)16-9-7-6-8-15(16)13-14(2)17/h6-9,14H,5,10-13,17H2,1-4H3
InChIKeyFXIBMZXTAWLMNA-UHFFFAOYSA-N
XLogP2.35
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminopropyl)-N,N-dibutylaniline
CID 63786767
N'-[2-[(1S)-1-aminoethyl]phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 78935470
N'-[2-(2-aminopropyl)-3-chlorophenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 63816000
2-(2-aminopropyl)-N-ethyl-N-(2-methylbutyl)aniline
CID 79481188
N'-[2-(2-aminobutyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63795925
N'-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 63368901
2-(2-aminopropyl)-N-(2-methoxyethyl)-N-pentan-3-ylaniline
CID 63816723
2-(2-aminopropyl)-N-ethyl-N-(4-methylphenyl)aniline
CID 63816327
2-[[2-(dipropylamino)phenyl]methyl]phenol
CID 174733371
ethane;N-methyl-2-(2-methylpropyl)-N-propylaniline
CID 144845826
2-(2-aminopropyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 112666767
N'-[2-(bromomethyl)-4-chlorophenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 107082448

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-aminopropyl)phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The IUPAC name of N'-[2-(2-aminopropyl)phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (CID 55236815) is N'-[2-(2-aminopropyl)phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(2-aminopropyl)phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-[2-(2-aminopropyl)phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is CCCN(CCN(C)C)c1ccccc1CC(C)N.
What is the InChIKey of N'-[2-(2-aminopropyl)phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The InChIKey is FXIBMZXTAWLMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-5-10-19(12-11-18(3)4)16-9-7-6-8-15(16)13-14(2)17/h6-9,14H,5,10-13,17H2,1-4H3.
What are the key properties of N'-[2-(2-aminopropyl)phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
N'-[2-(2-aminopropyl)phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine has a molecular weight of 263.43 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-aminopropyl)phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 55236815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).