3,4,5-tris(3-aminopropoxy)aniline

C15H28N4O3 — CID 69014315

IUPAC3,4,5-tris(3-aminopropoxy)aniline
SMILESNCCCOc1cc(N)cc(OCCCN)c1OCCCN
InChIInChI=1S/C15H28N4O3/c16-4-1-7-20-13-10-12(19)11-14(21-8-2-5-17)15(13)22-9-3-6-18/h10-11H,1-9,16-19H2
InChIKeyJJSMLVBHRDPIJL-UHFFFAOYSA-N
MW312.41 g/mol
LogP0.45
Rot. Bonds12

About 3,4,5-tris(3-aminopropoxy)aniline

3,4,5-tris(3-aminopropoxy)aniline (PubChem CID 69014315) has the molecular formula C15H28N4O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is 3,4,5-tris(3-aminopropoxy)aniline.

Molecular Properties

Compound Name3,4,5-tris(3-aminopropoxy)aniline
PubChem CID69014315
Molecular FormulaC15H28N4O3
Molecular Weight312.41 g/mol
Exact Mass312.22
IUPAC Name3,4,5-tris(3-aminopropoxy)aniline
SMILESNCCCOc1cc(N)cc(OCCCN)c1OCCCN
InChIInChI=1S/C15H28N4O3/c16-4-1-7-20-13-10-12(19)11-14(21-8-2-5-17)15(13)22-9-3-6-18/h10-11H,1-9,16-19H2
InChIKeyJJSMLVBHRDPIJL-UHFFFAOYSA-N
XLogP0.45
TPSA131.77 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-tris(3-aminopropoxy)benzamide
CID 69015345
3,4,5-tris(3,7-dimethyloctoxy)aniline
CID 72799399
3-(2,6-dimethoxyphenoxy)propan-1-amine
CID 14025832
4-[3,5-diamino-2-(4-sulfobutoxy)phenoxy]butane-1-sulfonic acid
CID 139991690
3-(2,4,6-trichlorophenoxy)propan-1-amine
CID 10060902
(3,4,5-trioctadecoxyphenyl)methanamine
CID 86674041
3-(2-methylquinolin-4-yl)oxypropan-1-amine
CID 62349241
3-(2,4-dimethylphenoxy)propan-1-amine
CID 14025831
4-anthracen-9-yloxybutan-1-amine
CID 14373236
[5-amino-2-[4-amino-2-[3,4,5-tri(tetradecoxy)benzoyl]peroxyphenyl]phenyl] 3,4,5-tri(tetradecoxy)benzenecarboperoxoate
CID 102277794
4-(5-amino-2,3-dimethoxyphenoxy)butanoic acid;hydrochloride
CID 159677080
3-[4-(3-aminopropoxy)phenoxy]propan-1-amine
CID 3650737

Frequently Asked Questions

What is the IUPAC name of 3,4,5-tris(3-aminopropoxy)aniline?
The IUPAC name of 3,4,5-tris(3-aminopropoxy)aniline (CID 69014315) is 3,4,5-tris(3-aminopropoxy)aniline.
What is the SMILES notation for 3,4,5-tris(3-aminopropoxy)aniline?
The canonical SMILES for 3,4,5-tris(3-aminopropoxy)aniline is NCCCOc1cc(N)cc(OCCCN)c1OCCCN.
What is the InChIKey of 3,4,5-tris(3-aminopropoxy)aniline?
The InChIKey is JJSMLVBHRDPIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O3/c16-4-1-7-20-13-10-12(19)11-14(21-8-2-5-17)15(13)22-9-3-6-18/h10-11H,1-9,16-19H2.
What are the key properties of 3,4,5-tris(3-aminopropoxy)aniline?
3,4,5-tris(3-aminopropoxy)aniline has a molecular weight of 312.41 g/mol, XLogP of 0.45, 12 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-tris(3-aminopropoxy)aniline is sourced from PubChem (CID 69014315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).