3-(aminomethyl)-N-butyl-N-propylaniline

C14H24N2 — CID 143588323

IUPAC3-(aminomethyl)-N-butyl-N-propylaniline
SMILESCCCCN(CCC)c1cccc(CN)c1
InChIInChI=1S/C14H24N2/c1-3-5-10-16(9-4-2)14-8-6-7-13(11-14)12-15/h6-8,11H,3-5,9-10,12,15H2,1-2H3
InChIKeyMDQAMZAXNBMLIQ-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.16
Rot. Bonds7

About 3-(aminomethyl)-N-butyl-N-propylaniline

3-(aminomethyl)-N-butyl-N-propylaniline (PubChem CID 143588323) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 3-(aminomethyl)-N-butyl-N-propylaniline.

Molecular Properties

Compound Name3-(aminomethyl)-N-butyl-N-propylaniline
PubChem CID143588323
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name3-(aminomethyl)-N-butyl-N-propylaniline
SMILESCCCCN(CCC)c1cccc(CN)c1
InChIInChI=1S/C14H24N2/c1-3-5-10-16(9-4-2)14-8-6-7-13(11-14)12-15/h6-8,11H,3-5,9-10,12,15H2,1-2H3
InChIKeyMDQAMZAXNBMLIQ-UHFFFAOYSA-N
XLogP3.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(aminomethyl)phenyl]methyl]-N-butylaniline
CID 64584405
2-[3-(dibutylamino)phenyl]ethanol
CID 101199746
4-(aminomethyl)-N-octyl-N-propylaniline
CID 43275934
2-[3-(aminomethyl)-N-(2-hydroxyethyl)anilino]ethanol
CID 102813585
N-[[4-(aminomethyl)phenyl]methyl]-N-butylaniline
CID 64584404
N'-butyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 43136076
N,N-dibutyl-3-methylaniline
CID 15332677
3-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)aniline
CID 102813670
2-[3-(aminomethyl)-N-(2-methoxyethyl)anilino]ethanol
CID 102814298
2-[[3-(dibutylamino)phenyl]methoxycarbonyl]-2-ethylbutanoic acid
CID 54443513
3-(dibutylamino)cyclohepta-2,4,6-trien-1-one
CID 21321486
3-[3-(aminomethyl)-N-[4-(4-aminophenyl)butyl]anilino]propan-1-ol
CID 21217870

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-butyl-N-propylaniline?
The IUPAC name of 3-(aminomethyl)-N-butyl-N-propylaniline (CID 143588323) is 3-(aminomethyl)-N-butyl-N-propylaniline.
What is the SMILES notation for 3-(aminomethyl)-N-butyl-N-propylaniline?
The canonical SMILES for 3-(aminomethyl)-N-butyl-N-propylaniline is CCCCN(CCC)c1cccc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-N-butyl-N-propylaniline?
The InChIKey is MDQAMZAXNBMLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-3-5-10-16(9-4-2)14-8-6-7-13(11-14)12-15/h6-8,11H,3-5,9-10,12,15H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-butyl-N-propylaniline?
3-(aminomethyl)-N-butyl-N-propylaniline has a molecular weight of 220.36 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-butyl-N-propylaniline is sourced from PubChem (CID 143588323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).