N-hexylhexan-1-imine

C12H25N — CID 11126932

IUPACN-hexylhexan-1-imine
SMILESCCCCC/C=N/CCCCCC
InChIInChI=1S/C12H25N/c1-3-5-7-9-11-13-12-10-8-6-4-2/h11H,3-10,12H2,1-2H3/b13-11+
InChIKeyHARGIDIYKXTDKM-ACCUITESSA-N
MW183.34 g/mol
LogP4.22
Rot. Bonds9

About N-hexylhexan-1-imine

N-hexylhexan-1-imine (PubChem CID 11126932) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-hexylhexan-1-imine.

Molecular Properties

Compound NameN-hexylhexan-1-imine
PubChem CID11126932
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-hexylhexan-1-imine
SMILESCCCCC/C=N/CCCCCC
InChIInChI=1S/C12H25N/c1-3-5-7-9-11-13-12-10-8-6-4-2/h11H,3-10,12H2,1-2H3/b13-11+
InChIKeyHARGIDIYKXTDKM-ACCUITESSA-N
XLogP4.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hexylhexan-1-imine?
The IUPAC name of N-hexylhexan-1-imine (CID 11126932) is N-hexylhexan-1-imine.
What is the SMILES notation for N-hexylhexan-1-imine?
The canonical SMILES for N-hexylhexan-1-imine is CCCCC/C=N/CCCCCC.
What is the InChIKey of N-hexylhexan-1-imine?
The InChIKey is HARGIDIYKXTDKM-ACCUITESSA-N. The full InChI is InChI=1S/C12H25N/c1-3-5-7-9-11-13-12-10-8-6-4-2/h11H,3-10,12H2,1-2H3/b13-11+.
What are the key properties of N-hexylhexan-1-imine?
N-hexylhexan-1-imine has a molecular weight of 183.34 g/mol, XLogP of 4.22, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexylhexan-1-imine is sourced from PubChem (CID 11126932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).