5-[4-[6-(3,5-diaminophenyl)hexan-3-yloxy]hexyl]benzene-1,3-diamine

C24H38N4O — CID 151614678

IUPAC5-[4-[6-(3,5-diaminophenyl)hexan-3-yloxy]hexyl]benzene-1,3-diamine
SMILESCCC(CCCc1cc(N)cc(N)c1)OC(CC)CCCc1cc(N)cc(N)c1
InChIInChI=1S/C24H38N4O/c1-3-23(9-5-7-17-11-19(25)15-20(26)12-17)29-24(4-2)10-6-8-18-13-21(27)16-22(28)14-18/h11-16,23-24H,3-10,25-28H2,1-2H3
InChIKeyQNFXLTOBWYVUIH-UHFFFAOYSA-N
MW398.60 g/mol
LogP4.93
Rot. Bonds12

About 5-[4-[6-(3,5-diaminophenyl)hexan-3-yloxy]hexyl]benzene-1,3-diamine

5-[4-[6-(3,5-diaminophenyl)hexan-3-yloxy]hexyl]benzene-1,3-diamine (PubChem CID 151614678) has the molecular formula C24H38N4O and a molecular weight of 398.60 g/mol. Its IUPAC name is 5-[4-[6-(3,5-diaminophenyl)hexan-3-yloxy]hexyl]benzene-1,3-diamine.

Molecular Properties

Compound Name5-[4-[6-(3,5-diaminophenyl)hexan-3-yloxy]hexyl]benzene-1,3-diamine
PubChem CID151614678
Molecular FormulaC24H38N4O
Molecular Weight398.60 g/mol
Exact Mass398.30
IUPAC Name5-[4-[6-(3,5-diaminophenyl)hexan-3-yloxy]hexyl]benzene-1,3-diamine
SMILESCCC(CCCc1cc(N)cc(N)c1)OC(CC)CCCc1cc(N)cc(N)c1
InChIInChI=1S/C24H38N4O/c1-3-23(9-5-7-17-11-19(25)15-20(26)12-17)29-24(4-2)10-6-8-18-13-21(27)16-22(28)14-18/h11-16,23-24H,3-10,25-28H2,1-2H3
InChIKeyQNFXLTOBWYVUIH-UHFFFAOYSA-N
XLogP4.93
TPSA113.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.60
LogP ≤ 54.93
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

5-[3-[1-(3,5-diaminophenyl)octan-3-yloxy]octyl]benzene-1,3-diamine
CID 150272080
5-decylbenzene-1,3-diamine
CID 134222532
3-[6-amino-4-[6-amino-1-(3-aminophenyl)heptan-4-yl]oxyheptyl]aniline
CID 141372858
1,3,5-tris(4-methylhexyl)benzene
CID 101071559
4-[3-[1-(2,4-diaminophenyl)octan-3-yloxy]octyl]benzene-1,3-diamine
CID 150528199
3-icosan-3-yloxyicosane
CID 22595200
3-pentadecan-3-yloxypentadecane
CID 57200588
4-(3,5-diaminophenyl)butanoic acid
CID 151286992
2-methyl-10-(11-methyldodecan-3-yloxy)dodecane
CID 158091351
6-(3,5-difluorophenyl)hexan-3-ol
CID 105409784
5-decylbenzene-1,3-diamine;1-decyl-3,5-dinitrobenzene;methane
CID 161462362
1,4-bis(4-methylhexyl)benzene
CID 145016441

Frequently Asked Questions

What is the IUPAC name of 5-[4-[6-(3,5-diaminophenyl)hexan-3-yloxy]hexyl]benzene-1,3-diamine?
The IUPAC name of 5-[4-[6-(3,5-diaminophenyl)hexan-3-yloxy]hexyl]benzene-1,3-diamine (CID 151614678) is 5-[4-[6-(3,5-diaminophenyl)hexan-3-yloxy]hexyl]benzene-1,3-diamine.
What is the SMILES notation for 5-[4-[6-(3,5-diaminophenyl)hexan-3-yloxy]hexyl]benzene-1,3-diamine?
The canonical SMILES for 5-[4-[6-(3,5-diaminophenyl)hexan-3-yloxy]hexyl]benzene-1,3-diamine is CCC(CCCc1cc(N)cc(N)c1)OC(CC)CCCc1cc(N)cc(N)c1.
What is the InChIKey of 5-[4-[6-(3,5-diaminophenyl)hexan-3-yloxy]hexyl]benzene-1,3-diamine?
The InChIKey is QNFXLTOBWYVUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O/c1-3-23(9-5-7-17-11-19(25)15-20(26)12-17)29-24(4-2)10-6-8-18-13-21(27)16-22(28)14-18/h11-16,23-24H,3-10,25-28H2,1-2H3.
What are the key properties of 5-[4-[6-(3,5-diaminophenyl)hexan-3-yloxy]hexyl]benzene-1,3-diamine?
5-[4-[6-(3,5-diaminophenyl)hexan-3-yloxy]hexyl]benzene-1,3-diamine has a molecular weight of 398.60 g/mol, XLogP of 4.93, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[6-(3,5-diaminophenyl)hexan-3-yloxy]hexyl]benzene-1,3-diamine is sourced from PubChem (CID 151614678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).