N-ethyl-N'-(1-iodoethyl)methanediamine

C5H13IN2 — CID 134555987

IUPACN-ethyl-N'-(1-iodoethyl)methanediamine
SMILESCCNCNC(C)I
InChIInChI=1S/C5H13IN2/c1-3-7-4-8-5(2)6/h5,7-8H,3-4H2,1-2H3
InChIKeyYTZQBLOPOWJRBR-UHFFFAOYSA-N
MW228.08 g/mol
LogP0.92
Rot. Bonds4

About N-ethyl-N'-(1-iodoethyl)methanediamine

N-ethyl-N'-(1-iodoethyl)methanediamine (PubChem CID 134555987) has the molecular formula C5H13IN2 and a molecular weight of 228.08 g/mol. Its IUPAC name is N-ethyl-N'-(1-iodoethyl)methanediamine.

Molecular Properties

Compound NameN-ethyl-N'-(1-iodoethyl)methanediamine
PubChem CID134555987
Molecular FormulaC5H13IN2
Molecular Weight228.08 g/mol
Exact Mass228.01
IUPAC NameN-ethyl-N'-(1-iodoethyl)methanediamine
SMILESCCNCNC(C)I
InChIInChI=1S/C5H13IN2/c1-3-7-4-8-5(2)6/h5,7-8H,3-4H2,1-2H3
InChIKeyYTZQBLOPOWJRBR-UHFFFAOYSA-N
XLogP0.92
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-ethyl-N-methylmethanediamine
CID 21026729
N-(1,2-13C2)ethyl(1,2-13C2)ethanamine
CID 71309791
N-ethyl-N'-(2-silylpent-1-en-3-yl)methanediamine
CID 173059012
N'-(1-iodoethyl)ethane-1,2-diamine
CID 89021038
1-N,1-N'-diethylethane-1,1-diamine;molecular iodine
CID 162034687
N-ethyl-N'-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine
CID 126619829
N-ethylethanamine;platinum
CID 88506582
N-ethylethanamine;yttrium
CID 174702634
N-ethylethanamine;λ2-plumbane
CID 174566138
cerium;N-ethylethanamine
CID 174691303
N-ethylethanamine;titanium(4+)
CID 21151065
N-ethylethanamine;fluoroform
CID 87515780

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(1-iodoethyl)methanediamine?
The IUPAC name of N-ethyl-N'-(1-iodoethyl)methanediamine (CID 134555987) is N-ethyl-N'-(1-iodoethyl)methanediamine.
What is the SMILES notation for N-ethyl-N'-(1-iodoethyl)methanediamine?
The canonical SMILES for N-ethyl-N'-(1-iodoethyl)methanediamine is CCNCNC(C)I.
What is the InChIKey of N-ethyl-N'-(1-iodoethyl)methanediamine?
The InChIKey is YTZQBLOPOWJRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13IN2/c1-3-7-4-8-5(2)6/h5,7-8H,3-4H2,1-2H3.
What are the key properties of N-ethyl-N'-(1-iodoethyl)methanediamine?
N-ethyl-N'-(1-iodoethyl)methanediamine has a molecular weight of 228.08 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(1-iodoethyl)methanediamine is sourced from PubChem (CID 134555987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).