N,N-diiodo-2-morpholin-4-ylethanamine

C6H12I2N2O — CID 129036940

IUPACN,N-diiodo-2-morpholin-4-ylethanamine
SMILESIN(I)CCN1CCOCC1
InChIInChI=1S/C6H12I2N2O/c7-10(8)2-1-9-3-5-11-6-4-9/h1-6H2
InChIKeyIJZODEJEJUCIAL-UHFFFAOYSA-N
MW381.98 g/mol
LogP1.32
Rot. Bonds3

About N,N-diiodo-2-morpholin-4-ylethanamine

N,N-diiodo-2-morpholin-4-ylethanamine (PubChem CID 129036940) has the molecular formula C6H12I2N2O and a molecular weight of 381.98 g/mol. Its IUPAC name is N,N-diiodo-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN,N-diiodo-2-morpholin-4-ylethanamine
PubChem CID129036940
Molecular FormulaC6H12I2N2O
Molecular Weight381.98 g/mol
Exact Mass381.90
IUPAC NameN,N-diiodo-2-morpholin-4-ylethanamine
SMILESIN(I)CCN1CCOCC1
InChIInChI=1S/C6H12I2N2O/c7-10(8)2-1-9-3-5-11-6-4-9/h1-6H2
InChIKeyIJZODEJEJUCIAL-UHFFFAOYSA-N
XLogP1.32
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.98
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

zinc;N,N-dimethyl-2-morpholin-4-ylethanamine;dichloride
CID 70152362
N-methyl-N-[methyl-methylimino-[methyl(2-morpholin-4-ylethyl)amino]-λ5-phosphanyl]-2-morpholin-4-ylethanamine
CID 122519265
4-(morpholin-4-ylmethyl)morpholine
CID 21839
N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-2-amine
CID 21030135
N-ethyl-N-(2-morpholin-4-ylethyl)oxetan-3-amine
CID 130358984
4-[2-(4-methylpiperazin-1-yl)ethyl]morpholine
CID 20719664
16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 15145347
N,N'-dimethyl-N'-(2-morpholin-4-ylethyl)ethane-1,2-diamine
CID 43374410
2-[cyclopropyl(2-morpholin-4-ylethyl)amino]acetic acid
CID 60834823
N'-cyclohexyl-N'-(2-morpholin-4-ylethyl)ethane-1,2-diamine
CID 55242012
N-(2-morpholin-4-ylethyl)-N-propylazetidin-3-amine
CID 66215890
16-propyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71337150

Frequently Asked Questions

What is the IUPAC name of N,N-diiodo-2-morpholin-4-ylethanamine?
The IUPAC name of N,N-diiodo-2-morpholin-4-ylethanamine (CID 129036940) is N,N-diiodo-2-morpholin-4-ylethanamine.
What is the SMILES notation for N,N-diiodo-2-morpholin-4-ylethanamine?
The canonical SMILES for N,N-diiodo-2-morpholin-4-ylethanamine is IN(I)CCN1CCOCC1.
What is the InChIKey of N,N-diiodo-2-morpholin-4-ylethanamine?
The InChIKey is IJZODEJEJUCIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12I2N2O/c7-10(8)2-1-9-3-5-11-6-4-9/h1-6H2.
What are the key properties of N,N-diiodo-2-morpholin-4-ylethanamine?
N,N-diiodo-2-morpholin-4-ylethanamine has a molecular weight of 381.98 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diiodo-2-morpholin-4-ylethanamine is sourced from PubChem (CID 129036940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).