N'-iodo-N-methyl-N'-propylethane-1,2-diamine

C6H15IN2 — CID 126702167

IUPACN'-iodo-N-methyl-N'-propylethane-1,2-diamine
SMILESCCCN(I)CCNC
InChIInChI=1S/C6H15IN2/c1-3-5-9(7)6-4-8-2/h8H,3-6H2,1-2H3
InChIKeyLGCLYHODHZGGMA-UHFFFAOYSA-N
MW242.10 g/mol
LogP1.27
Rot. Bonds5

About N'-iodo-N-methyl-N'-propylethane-1,2-diamine

N'-iodo-N-methyl-N'-propylethane-1,2-diamine (PubChem CID 126702167) has the molecular formula C6H15IN2 and a molecular weight of 242.10 g/mol. Its IUPAC name is N'-iodo-N-methyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-iodo-N-methyl-N'-propylethane-1,2-diamine
PubChem CID126702167
Molecular FormulaC6H15IN2
Molecular Weight242.10 g/mol
Exact Mass242.03
IUPAC NameN'-iodo-N-methyl-N'-propylethane-1,2-diamine
SMILESCCCN(I)CCNC
InChIInChI=1S/C6H15IN2/c1-3-5-9(7)6-4-8-2/h8H,3-6H2,1-2H3
InChIKeyLGCLYHODHZGGMA-UHFFFAOYSA-N
XLogP1.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.10
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-ethyl-N-methyl-N'-propylethane-1,2-diamine
CID 21015837
N,N'-dimethyl-N'-propylethane-1,2-diamine;methane
CID 159586340
2-N,3-N,2,3-tetramethyl-2-N-[2-(methylamino)ethyl]-3-N-propylbutane-2,3-diamine
CID 145011873
N,N'-dimethyl-N'-phosphanylethane-1,2-diamine
CID 129067640
N',N'-diethyl-N-methylethane-1,2-diamine;ethane
CID 142004273
propane;N,N',N'-trimethylethane-1,2-diamine
CID 176717346
N'-(dimethylamino-hydroxy-methyl-λ4-sulfanyl)-N-methyl-N'-propylethane-1,2-diamine
CID 176959631
N-butyl-N-iodobutan-1-amine
CID 19800845
ethane;propane;N,N',N'-trimethylethane-1,2-diamine
CID 143559684
N,N-dimethyl-N'-[2-(methylamino)ethyl]-N'-propylpropane-1,3-diamine
CID 114525574
N-[2-(methylamino)ethyl]-N-pent-1-en-2-ylformamide
CID 134406609
ethane;N'-ethyl-N,N'-dimethylethane-1,2-diamine
CID 142870975

Frequently Asked Questions

What is the IUPAC name of N'-iodo-N-methyl-N'-propylethane-1,2-diamine?
The IUPAC name of N'-iodo-N-methyl-N'-propylethane-1,2-diamine (CID 126702167) is N'-iodo-N-methyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-iodo-N-methyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-iodo-N-methyl-N'-propylethane-1,2-diamine is CCCN(I)CCNC.
What is the InChIKey of N'-iodo-N-methyl-N'-propylethane-1,2-diamine?
The InChIKey is LGCLYHODHZGGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15IN2/c1-3-5-9(7)6-4-8-2/h8H,3-6H2,1-2H3.
What are the key properties of N'-iodo-N-methyl-N'-propylethane-1,2-diamine?
N'-iodo-N-methyl-N'-propylethane-1,2-diamine has a molecular weight of 242.10 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-iodo-N-methyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 126702167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).