N'-(chloromethyl)-N-propylethane-1,2-diimine

C6H11ClN2 — CID 174011052

IUPACN'-(chloromethyl)-N-propylethane-1,2-diimine
SMILESCCC/N=C/C=NCCl
InChIInChI=1S/C6H11ClN2/c1-2-3-8-4-5-9-6-7/h4-5H,2-3,6H2,1H3/b8-4+,9-5?
InChIKeyUAZYQTQINMMSRI-HQMTTWOASA-N
MW146.62 g/mol
LogP1.73
Rot. Bonds4

About N'-(chloromethyl)-N-propylethane-1,2-diimine

N'-(chloromethyl)-N-propylethane-1,2-diimine (PubChem CID 174011052) has the molecular formula C6H11ClN2 and a molecular weight of 146.62 g/mol. Its IUPAC name is N'-(chloromethyl)-N-propylethane-1,2-diimine.

Molecular Properties

Compound NameN'-(chloromethyl)-N-propylethane-1,2-diimine
PubChem CID174011052
Molecular FormulaC6H11ClN2
Molecular Weight146.62 g/mol
Exact Mass146.06
IUPAC NameN'-(chloromethyl)-N-propylethane-1,2-diimine
SMILESCCC/N=C/C=NCCl
InChIInChI=1S/C6H11ClN2/c1-2-3-8-4-5-9-6-7/h4-5H,2-3,6H2,1H3/b8-4+,9-5?
InChIKeyUAZYQTQINMMSRI-HQMTTWOASA-N
XLogP1.73
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.62
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N,N'-dimethylethane-1,2-diimine;N,N'-dipropylethane-1,2-diimine;manganese
CID 140844861
methyl N-(2-chloroethyl)methanimidate
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N-(chloromethyl)methanimidoyl chloride
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(1E)-N-(chloromethyl)methanimidoyl chloride
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2-methyl-2-(2-methyl-1-propyliminopropan-2-yl)peroxy-N-propylpropan-1-imine
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N-octylprop-2-en-1-imine
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2-methyl-1-propyliminobutan-2-ol
CID 118185054
(E)-N-octylbut-2-en-1-imine
CID 167240064
methyl N-(2-aminoethyl)methanimidate
CID 20735797
1-(1H-imidazol-5-yl)-N-propylmethanimine
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N-ethenyl-N-methyl-2-propyliminoethanamine
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1-chlorotritriacont-2-ene
CID 173457844

Frequently Asked Questions

What is the IUPAC name of N'-(chloromethyl)-N-propylethane-1,2-diimine?
The IUPAC name of N'-(chloromethyl)-N-propylethane-1,2-diimine (CID 174011052) is N'-(chloromethyl)-N-propylethane-1,2-diimine.
What is the SMILES notation for N'-(chloromethyl)-N-propylethane-1,2-diimine?
The canonical SMILES for N'-(chloromethyl)-N-propylethane-1,2-diimine is CCC/N=C/C=NCCl.
What is the InChIKey of N'-(chloromethyl)-N-propylethane-1,2-diimine?
The InChIKey is UAZYQTQINMMSRI-HQMTTWOASA-N. The full InChI is InChI=1S/C6H11ClN2/c1-2-3-8-4-5-9-6-7/h4-5H,2-3,6H2,1H3/b8-4+,9-5?.
What are the key properties of N'-(chloromethyl)-N-propylethane-1,2-diimine?
N'-(chloromethyl)-N-propylethane-1,2-diimine has a molecular weight of 146.62 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(chloromethyl)-N-propylethane-1,2-diimine is sourced from PubChem (CID 174011052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).