N'-butyl-N'-[2-(iodoamino)ethyl]-N-(2-methoxyethyl)ethane-1,2-diamine

C11H26IN3O — CID 166766087

IUPACN'-butyl-N'-[2-(iodoamino)ethyl]-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCCCCN(CCNI)CCNCCOC
InChIInChI=1S/C11H26IN3O/c1-3-4-8-15(10-6-14-12)9-5-13-7-11-16-2/h13-14H,3-11H2,1-2H3
InChIKeyATIBWLULDPKIEL-UHFFFAOYSA-N
MW343.25 g/mol
LogP1.26
Rot. Bonds12

About N'-butyl-N'-[2-(iodoamino)ethyl]-N-(2-methoxyethyl)ethane-1,2-diamine

N'-butyl-N'-[2-(iodoamino)ethyl]-N-(2-methoxyethyl)ethane-1,2-diamine (PubChem CID 166766087) has the molecular formula C11H26IN3O and a molecular weight of 343.25 g/mol. Its IUPAC name is N'-butyl-N'-[2-(iodoamino)ethyl]-N-(2-methoxyethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-butyl-N'-[2-(iodoamino)ethyl]-N-(2-methoxyethyl)ethane-1,2-diamine
PubChem CID166766087
Molecular FormulaC11H26IN3O
Molecular Weight343.25 g/mol
Exact Mass343.11
IUPAC NameN'-butyl-N'-[2-(iodoamino)ethyl]-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCCCCN(CCNI)CCNCCOC
InChIInChI=1S/C11H26IN3O/c1-3-4-8-15(10-6-14-12)9-5-13-7-11-16-2/h13-14H,3-11H2,1-2H3
InChIKeyATIBWLULDPKIEL-UHFFFAOYSA-N
XLogP1.26
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-butyl-N'-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 62575465
N',N'-dibutyl-N-(2-methoxyethyl)butane-1,4-diamine
CID 62569487
N-(2-butoxyethyl)-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine
CID 62559728
N'-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-N'-propylethane-1,2-diamine
CID 62574418
ethane;N-(2-methoxyethyl)hexan-1-amine
CID 177359501
N-[2-(dibutylamino)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 55085123
N'-[2-(dibutylamino)ethyl]ethane-1,2-diamine
CID 54322779
N'-hexadecyl-N-[2-[hexadecyl(octadecyl)amino]ethyl]-N'-octadecylethane-1,2-diamine
CID 21492340
N-(2-butoxyethyl)-N'-ethyl-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 62554321
N-(3-methoxypropyl)-N-propylbutan-1-amine
CID 148527090
N'-butyl-N-methyl-N'-[2-(propylamino)ethyl]ethane-1,2-diamine
CID 58312291
N,N',N'-tridodecylethane-1,2-diamine
CID 166798413

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N'-[2-(iodoamino)ethyl]-N-(2-methoxyethyl)ethane-1,2-diamine?
The IUPAC name of N'-butyl-N'-[2-(iodoamino)ethyl]-N-(2-methoxyethyl)ethane-1,2-diamine (CID 166766087) is N'-butyl-N'-[2-(iodoamino)ethyl]-N-(2-methoxyethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-butyl-N'-[2-(iodoamino)ethyl]-N-(2-methoxyethyl)ethane-1,2-diamine?
The canonical SMILES for N'-butyl-N'-[2-(iodoamino)ethyl]-N-(2-methoxyethyl)ethane-1,2-diamine is CCCCN(CCNI)CCNCCOC.
What is the InChIKey of N'-butyl-N'-[2-(iodoamino)ethyl]-N-(2-methoxyethyl)ethane-1,2-diamine?
The InChIKey is ATIBWLULDPKIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26IN3O/c1-3-4-8-15(10-6-14-12)9-5-13-7-11-16-2/h13-14H,3-11H2,1-2H3.
What are the key properties of N'-butyl-N'-[2-(iodoamino)ethyl]-N-(2-methoxyethyl)ethane-1,2-diamine?
N'-butyl-N'-[2-(iodoamino)ethyl]-N-(2-methoxyethyl)ethane-1,2-diamine has a molecular weight of 343.25 g/mol, XLogP of 1.26, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N'-[2-(iodoamino)ethyl]-N-(2-methoxyethyl)ethane-1,2-diamine is sourced from PubChem (CID 166766087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).