N'-cyclobutyl-N-methylheptane-1,7-diimine

C12H22N2 — CID 155283432

IUPACN'-cyclobutyl-N-methylheptane-1,7-diimine
SMILESC/N=C/CCCCC/C=N/C1CCC1
InChIInChI=1S/C12H22N2/c1-13-10-5-3-2-4-6-11-14-12-8-7-9-12/h10-12H,2-9H2,1H3/b13-10+,14-11+
InChIKeyQJGLGQDDOPCOLJ-IFQMDVHZSA-N
MW194.32 g/mol
LogP3.26
Rot. Bonds7

About N'-cyclobutyl-N-methylheptane-1,7-diimine

N'-cyclobutyl-N-methylheptane-1,7-diimine (PubChem CID 155283432) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N'-cyclobutyl-N-methylheptane-1,7-diimine.

Molecular Properties

Compound NameN'-cyclobutyl-N-methylheptane-1,7-diimine
PubChem CID155283432
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN'-cyclobutyl-N-methylheptane-1,7-diimine
SMILESC/N=C/CCCCC/C=N/C1CCC1
InChIInChI=1S/C12H22N2/c1-13-10-5-3-2-4-6-11-14-12-8-7-9-12/h10-12H,2-9H2,1H3/b13-10+,14-11+
InChIKeyQJGLGQDDOPCOLJ-IFQMDVHZSA-N
XLogP3.26
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'-cyclobutyl-N-methylheptane-1,7-diimine?
The IUPAC name of N'-cyclobutyl-N-methylheptane-1,7-diimine (CID 155283432) is N'-cyclobutyl-N-methylheptane-1,7-diimine.
What is the SMILES notation for N'-cyclobutyl-N-methylheptane-1,7-diimine?
The canonical SMILES for N'-cyclobutyl-N-methylheptane-1,7-diimine is C/N=C/CCCCC/C=N/C1CCC1.
What is the InChIKey of N'-cyclobutyl-N-methylheptane-1,7-diimine?
The InChIKey is QJGLGQDDOPCOLJ-IFQMDVHZSA-N. The full InChI is InChI=1S/C12H22N2/c1-13-10-5-3-2-4-6-11-14-12-8-7-9-12/h10-12H,2-9H2,1H3/b13-10+,14-11+.
What are the key properties of N'-cyclobutyl-N-methylheptane-1,7-diimine?
N'-cyclobutyl-N-methylheptane-1,7-diimine has a molecular weight of 194.32 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclobutyl-N-methylheptane-1,7-diimine is sourced from PubChem (CID 155283432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).