N'-(1-iodoethyl)ethane-1,2-diamine

C4H11IN2 — CID 89021038

IUPACN'-(1-iodoethyl)ethane-1,2-diamine
SMILESCC(I)NCCN
InChIInChI=1S/C4H11IN2/c1-4(5)7-3-2-6/h4,7H,2-3,6H2,1H3
InChIKeyACNBQAIQDOZSPV-UHFFFAOYSA-N
MW214.05 g/mol
LogP0.32
Rot. Bonds3

About N'-(1-iodoethyl)ethane-1,2-diamine

N'-(1-iodoethyl)ethane-1,2-diamine (PubChem CID 89021038) has the molecular formula C4H11IN2 and a molecular weight of 214.05 g/mol. Its IUPAC name is N'-(1-iodoethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1-iodoethyl)ethane-1,2-diamine
PubChem CID89021038
Molecular FormulaC4H11IN2
Molecular Weight214.05 g/mol
Exact Mass214.00
IUPAC NameN'-(1-iodoethyl)ethane-1,2-diamine
SMILESCC(I)NCCN
InChIInChI=1S/C4H11IN2/c1-4(5)7-3-2-6/h4,7H,2-3,6H2,1H3
InChIKeyACNBQAIQDOZSPV-UHFFFAOYSA-N
XLogP0.32
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.05
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(1,1-difluoropropan-2-yl)ethane-1,2-diamine
CID 102869079
(1S)-1-(2-aminoethylamino)propane-1,2-diol
CID 174340502
N'-butan-2-ylethane-1,2-diamine;ethane
CID 142992990
CID 172753617
CID 172753617
1-N-(2-aminoethyl)-1-N'-[2-(2-aminoethylamino)ethyl]ethane-1,1-diamine
CID 18468827
N'-but-3-yn-2-ylethane-1,2-diamine
CID 15065593
2-(2-aminoethylamino)propanamide
CID 20551229
2-(2-aminoethylamino)propanoic acid;hydrochloride
CID 175693508
N'-(1-trimethoxysilylethyl)ethane-1,2-diamine
CID 21267592
N'-[2-[2-[2-(propan-2-ylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 87748300
1-N,1-N'-bis(2-aminoethyl)butane-1,1-diamine
CID 141030992
(2S)-2-(2-aminoethylamino)-3-methylbutanoic acid
CID 45082351

Frequently Asked Questions

What is the IUPAC name of N'-(1-iodoethyl)ethane-1,2-diamine?
The IUPAC name of N'-(1-iodoethyl)ethane-1,2-diamine (CID 89021038) is N'-(1-iodoethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(1-iodoethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(1-iodoethyl)ethane-1,2-diamine is CC(I)NCCN.
What is the InChIKey of N'-(1-iodoethyl)ethane-1,2-diamine?
The InChIKey is ACNBQAIQDOZSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11IN2/c1-4(5)7-3-2-6/h4,7H,2-3,6H2,1H3.
What are the key properties of N'-(1-iodoethyl)ethane-1,2-diamine?
N'-(1-iodoethyl)ethane-1,2-diamine has a molecular weight of 214.05 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-iodoethyl)ethane-1,2-diamine is sourced from PubChem (CID 89021038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).