1,6-bis(4-aminophenoxy)hexane-1,1-diamine

C18H26N4O2 — CID 172559201

IUPAC1,6-bis(4-aminophenoxy)hexane-1,1-diamine
SMILESNc1ccc(OCCCCCC(N)(N)Oc2ccc(N)cc2)cc1
InChIInChI=1S/C18H26N4O2/c19-14-4-8-16(9-5-14)23-13-3-1-2-12-18(21,22)24-17-10-6-15(20)7-11-17/h4-11H,1-3,12-13,19-22H2
InChIKeyORNZEUJECNDQJC-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.44
Rot. Bonds9

About 1,6-bis(4-aminophenoxy)hexane-1,1-diamine

1,6-bis(4-aminophenoxy)hexane-1,1-diamine (PubChem CID 172559201) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1,6-bis(4-aminophenoxy)hexane-1,1-diamine.

Molecular Properties

Compound Name1,6-bis(4-aminophenoxy)hexane-1,1-diamine
PubChem CID172559201
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1,6-bis(4-aminophenoxy)hexane-1,1-diamine
SMILESNc1ccc(OCCCCCC(N)(N)Oc2ccc(N)cc2)cc1
InChIInChI=1S/C18H26N4O2/c19-14-4-8-16(9-5-14)23-13-3-1-2-12-18(21,22)24-17-10-6-15(20)7-11-17/h4-11H,1-3,12-13,19-22H2
InChIKeyORNZEUJECNDQJC-UHFFFAOYSA-N
XLogP2.44
TPSA122.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1,6-bis(4-aminophenoxy)hexane-1,1-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[19-(4-aminophenoxy)nonadecoxy]aniline
CID 139902778
1,2-bis(4-aminophenoxy)ethane-1,1-diamine
CID 141003023
6-(4-aminophenoxy)-2,2-dimethylhexanenitrile
CID 106708279
4-[2-[4-[2-(4-aminophenoxy)ethoxy]phenoxy]ethoxy]aniline;azane
CID 67942387
4-[5-(4-phenylphenoxy)pentoxy]aniline
CID 24833731
2-[10-(4-aminophenoxy)decoxy]aniline
CID 146356244
5-[6-(4-aminophenoxy)hexoxy]benzene-1,3-dicarboxylic acid
CID 102321827
4-[5-(2-methoxyethoxy)pentoxy]aniline
CID 3026839
6-(4-aminophenoxy)hexanoic acid
CID 3028577
azane;ethane;ethene;4-octadecoxyaniline
CID 142260214
4-[4-[4-[2-(4-aminophenoxy)ethoxy]phenyl]phenyl]aniline
CID 145159211
4-[3-(4-aminophenoxy)propyl]aniline
CID 146744980

Frequently Asked Questions

What is the IUPAC name of 1,6-bis(4-aminophenoxy)hexane-1,1-diamine?
The IUPAC name of 1,6-bis(4-aminophenoxy)hexane-1,1-diamine (CID 172559201) is 1,6-bis(4-aminophenoxy)hexane-1,1-diamine.
What is the SMILES notation for 1,6-bis(4-aminophenoxy)hexane-1,1-diamine?
The canonical SMILES for 1,6-bis(4-aminophenoxy)hexane-1,1-diamine is Nc1ccc(OCCCCCC(N)(N)Oc2ccc(N)cc2)cc1.
What is the InChIKey of 1,6-bis(4-aminophenoxy)hexane-1,1-diamine?
The InChIKey is ORNZEUJECNDQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c19-14-4-8-16(9-5-14)23-13-3-1-2-12-18(21,22)24-17-10-6-15(20)7-11-17/h4-11H,1-3,12-13,19-22H2.
What are the key properties of 1,6-bis(4-aminophenoxy)hexane-1,1-diamine?
1,6-bis(4-aminophenoxy)hexane-1,1-diamine has a molecular weight of 330.43 g/mol, XLogP of 2.44, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(4-aminophenoxy)hexane-1,1-diamine is sourced from PubChem (CID 172559201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).