3-[6-amino-4-[6-amino-1-(3-aminophenyl)heptan-4-yl]oxyheptyl]aniline

C26H42N4O — CID 141372858

IUPAC3-[6-amino-4-[6-amino-1-(3-aminophenyl)heptan-4-yl]oxyheptyl]aniline
SMILESCC(N)CC(CCCc1cccc(N)c1)OC(CCCc1cccc(N)c1)CC(C)N
InChIInChI=1S/C26H42N4O/c1-19(27)15-25(13-5-9-21-7-3-11-23(29)17-21)31-26(16-20(2)28)14-6-10-22-8-4-12-24(30)18-22/h3-4,7-8,11-12,17-20,25-26H,5-6,9-10,13-16,27-30H2,1-2H3
InChIKeyGUNXJRBGNHIINC-UHFFFAOYSA-N
MW426.65 g/mol
LogP4.43
Rot. Bonds14

About 3-[6-amino-4-[6-amino-1-(3-aminophenyl)heptan-4-yl]oxyheptyl]aniline

3-[6-amino-4-[6-amino-1-(3-aminophenyl)heptan-4-yl]oxyheptyl]aniline (PubChem CID 141372858) has the molecular formula C26H42N4O and a molecular weight of 426.65 g/mol. Its IUPAC name is 3-[6-amino-4-[6-amino-1-(3-aminophenyl)heptan-4-yl]oxyheptyl]aniline.

Molecular Properties

Compound Name3-[6-amino-4-[6-amino-1-(3-aminophenyl)heptan-4-yl]oxyheptyl]aniline
PubChem CID141372858
Molecular FormulaC26H42N4O
Molecular Weight426.65 g/mol
Exact Mass426.34
IUPAC Name3-[6-amino-4-[6-amino-1-(3-aminophenyl)heptan-4-yl]oxyheptyl]aniline
SMILESCC(N)CC(CCCc1cccc(N)c1)OC(CCCc1cccc(N)c1)CC(C)N
InChIInChI=1S/C26H42N4O/c1-19(27)15-25(13-5-9-21-7-3-11-23(29)17-21)31-26(16-20(2)28)14-6-10-22-8-4-12-24(30)18-22/h3-4,7-8,11-12,17-20,25-26H,5-6,9-10,13-16,27-30H2,1-2H3
InChIKeyGUNXJRBGNHIINC-UHFFFAOYSA-N
XLogP4.43
TPSA113.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.65
LogP ≤ 54.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(3-aminophenyl)-3-methylhexan-2-ol
CID 89100979
5-[4-[6-(3,5-diaminophenyl)hexan-3-yloxy]hexyl]benzene-1,3-diamine
CID 151614678
3-pentylaniline
CID 19911390
5-(3-methylphenyl)pentan-2-amine
CID 64502928
3-docosylaniline
CID 139654071
3-(3-fluoropropyl)aniline
CID 83855660
3-(3-aminophenyl)propan-1-ol
CID 10103334
3-[3-(hexan-2-ylamino)propyl]aniline
CID 113290671
3-[3-(1-ethoxypropan-2-yloxy)propyl]aniline
CID 103488473
ethane;3-propylaniline;vanadium
CID 143596420
3-[2-(3-propan-2-yloxypropylamino)ethyl]aniline
CID 82257317
3-[2-(2-methylbutylamino)ethyl]aniline
CID 65347855

Frequently Asked Questions

What is the IUPAC name of 3-[6-amino-4-[6-amino-1-(3-aminophenyl)heptan-4-yl]oxyheptyl]aniline?
The IUPAC name of 3-[6-amino-4-[6-amino-1-(3-aminophenyl)heptan-4-yl]oxyheptyl]aniline (CID 141372858) is 3-[6-amino-4-[6-amino-1-(3-aminophenyl)heptan-4-yl]oxyheptyl]aniline.
What is the SMILES notation for 3-[6-amino-4-[6-amino-1-(3-aminophenyl)heptan-4-yl]oxyheptyl]aniline?
The canonical SMILES for 3-[6-amino-4-[6-amino-1-(3-aminophenyl)heptan-4-yl]oxyheptyl]aniline is CC(N)CC(CCCc1cccc(N)c1)OC(CCCc1cccc(N)c1)CC(C)N.
What is the InChIKey of 3-[6-amino-4-[6-amino-1-(3-aminophenyl)heptan-4-yl]oxyheptyl]aniline?
The InChIKey is GUNXJRBGNHIINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N4O/c1-19(27)15-25(13-5-9-21-7-3-11-23(29)17-21)31-26(16-20(2)28)14-6-10-22-8-4-12-24(30)18-22/h3-4,7-8,11-12,17-20,25-26H,5-6,9-10,13-16,27-30H2,1-2H3.
What are the key properties of 3-[6-amino-4-[6-amino-1-(3-aminophenyl)heptan-4-yl]oxyheptyl]aniline?
3-[6-amino-4-[6-amino-1-(3-aminophenyl)heptan-4-yl]oxyheptyl]aniline has a molecular weight of 426.65 g/mol, XLogP of 4.43, 14 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-amino-4-[6-amino-1-(3-aminophenyl)heptan-4-yl]oxyheptyl]aniline is sourced from PubChem (CID 141372858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).