N-(iodomethyl)pentan-1-imine

C6H12IN — CID 163595054

IUPACN-(iodomethyl)pentan-1-imine
SMILESCCCCC=NCI
InChIInChI=1S/C6H12IN/c1-2-3-4-5-8-6-7/h5H,2-4,6H2,1H3
InChIKeyGSSKHQMLMUAQMT-UHFFFAOYSA-N
MW225.07 g/mol
LogP2.64
Rot. Bonds4

About N-(iodomethyl)pentan-1-imine

N-(iodomethyl)pentan-1-imine (PubChem CID 163595054) has the molecular formula C6H12IN and a molecular weight of 225.07 g/mol. Its IUPAC name is N-(iodomethyl)pentan-1-imine.

Molecular Properties

Compound NameN-(iodomethyl)pentan-1-imine
PubChem CID163595054
Molecular FormulaC6H12IN
Molecular Weight225.07 g/mol
Exact Mass225.00
IUPAC NameN-(iodomethyl)pentan-1-imine
SMILESCCCCC=NCI
InChIInChI=1S/C6H12IN/c1-2-3-4-5-8-6-7/h5H,2-4,6H2,1H3
InChIKeyGSSKHQMLMUAQMT-UHFFFAOYSA-N
XLogP2.64
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.07
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N'-didecylpentane-1,5-diimine
CID 118371796
N-pentacosylhexacosan-1-imine
CID 21412184
N-hexacosylheptacosan-1-imine
CID 88829034
N-hexyldecan-1-imine
CID 174719675
N-tetradecyltridecan-1-imine
CID 175147598
2-(hexylideneamino)ethanol
CID 130130159
N-(pentadecylideneamino)pentadecan-1-imine
CID 88831518
CID 57418783
CID 57418783
N-methyloctadecan-1-imine
CID 54409483
pentylidenecarbamothioic S-acid
CID 91149541
(E)-N-pentoxypentan-1-imine
CID 18714719
iodoethane;pentane
CID 142801861

Frequently Asked Questions

What is the IUPAC name of N-(iodomethyl)pentan-1-imine?
The IUPAC name of N-(iodomethyl)pentan-1-imine (CID 163595054) is N-(iodomethyl)pentan-1-imine.
What is the SMILES notation for N-(iodomethyl)pentan-1-imine?
The canonical SMILES for N-(iodomethyl)pentan-1-imine is CCCCC=NCI.
What is the InChIKey of N-(iodomethyl)pentan-1-imine?
The InChIKey is GSSKHQMLMUAQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12IN/c1-2-3-4-5-8-6-7/h5H,2-4,6H2,1H3.
What are the key properties of N-(iodomethyl)pentan-1-imine?
N-(iodomethyl)pentan-1-imine has a molecular weight of 225.07 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(iodomethyl)pentan-1-imine is sourced from PubChem (CID 163595054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).