5-iodo-1-N,3-N-bis(2-morpholin-4-ylethyl)benzene-1,3-diamine

C18H29IN4O2 — CID 153298189

IUPAC5-iodo-1-N,3-N-bis(2-morpholin-4-ylethyl)benzene-1,3-diamine
SMILESIc1cc(NCCN2CCOCC2)cc(NCCN2CCOCC2)c1
InChIInChI=1S/C18H29IN4O2/c19-16-13-17(20-1-3-22-5-9-24-10-6-22)15-18(14-16)21-2-4-23-7-11-25-12-8-23/h13-15,20-21H,1-12H2
InChIKeyVFTWNKYXNBEHGH-UHFFFAOYSA-N
MW460.36 g/mol
LogP1.78
Rot. Bonds8

About 5-iodo-1-N,3-N-bis(2-morpholin-4-ylethyl)benzene-1,3-diamine

5-iodo-1-N,3-N-bis(2-morpholin-4-ylethyl)benzene-1,3-diamine (PubChem CID 153298189) has the molecular formula C18H29IN4O2 and a molecular weight of 460.36 g/mol. Its IUPAC name is 5-iodo-1-N,3-N-bis(2-morpholin-4-ylethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-iodo-1-N,3-N-bis(2-morpholin-4-ylethyl)benzene-1,3-diamine
PubChem CID153298189
Molecular FormulaC18H29IN4O2
Molecular Weight460.36 g/mol
Exact Mass460.13
IUPAC Name5-iodo-1-N,3-N-bis(2-morpholin-4-ylethyl)benzene-1,3-diamine
SMILESIc1cc(NCCN2CCOCC2)cc(NCCN2CCOCC2)c1
InChIInChI=1S/C18H29IN4O2/c19-16-13-17(20-1-3-22-5-9-24-10-6-22)15-18(14-16)21-2-4-23-7-11-25-12-8-23/h13-15,20-21H,1-12H2
InChIKeyVFTWNKYXNBEHGH-UHFFFAOYSA-N
XLogP1.78
TPSA49.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-N-methyl-5-N-(2-morpholin-4-ylethyl)pyridine-3,5-diamine
CID 104532718
4-chloro-N-(2-morpholin-4-ylethyl)aniline
CID 28580807
1-N-methyl-3-N-(2-morpholin-4-ylethyl)-5-nitrobenzene-1,3-diamine
CID 80777688
3-chloro-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 28568493
3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 28583324
1-N-decyl-3-N-(2-morpholin-4-ylethyl)benzene-1,3-diamine
CID 151335568
4-bromo-3-fluoro-N-(2-morpholin-4-ylethyl)aniline
CID 65437336
3-tert-butyl-N-(2-morpholin-4-ylethyl)aniline
CID 20619663
3-bromo-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 39420305
3-(2-morpholin-4-ylethylamino)benzonitrile
CID 28581021
N-(2-morpholin-4-ylethyl)-1H-indol-6-amine
CID 69376753
2,4,5-trimethyl-N-(2-morpholin-4-ylethyl)aniline
CID 82498851

Frequently Asked Questions

What is the IUPAC name of 5-iodo-1-N,3-N-bis(2-morpholin-4-ylethyl)benzene-1,3-diamine?
The IUPAC name of 5-iodo-1-N,3-N-bis(2-morpholin-4-ylethyl)benzene-1,3-diamine (CID 153298189) is 5-iodo-1-N,3-N-bis(2-morpholin-4-ylethyl)benzene-1,3-diamine.
What is the SMILES notation for 5-iodo-1-N,3-N-bis(2-morpholin-4-ylethyl)benzene-1,3-diamine?
The canonical SMILES for 5-iodo-1-N,3-N-bis(2-morpholin-4-ylethyl)benzene-1,3-diamine is Ic1cc(NCCN2CCOCC2)cc(NCCN2CCOCC2)c1.
What is the InChIKey of 5-iodo-1-N,3-N-bis(2-morpholin-4-ylethyl)benzene-1,3-diamine?
The InChIKey is VFTWNKYXNBEHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29IN4O2/c19-16-13-17(20-1-3-22-5-9-24-10-6-22)15-18(14-16)21-2-4-23-7-11-25-12-8-23/h13-15,20-21H,1-12H2.
What are the key properties of 5-iodo-1-N,3-N-bis(2-morpholin-4-ylethyl)benzene-1,3-diamine?
5-iodo-1-N,3-N-bis(2-morpholin-4-ylethyl)benzene-1,3-diamine has a molecular weight of 460.36 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-N,3-N-bis(2-morpholin-4-ylethyl)benzene-1,3-diamine is sourced from PubChem (CID 153298189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).