5,5-dimethyl-N-propylhexan-2-imine

C11H23N — CID 89041901

IUPAC5,5-dimethyl-N-propylhexan-2-imine
SMILESCCC/N=C(\C)CCC(C)(C)C
InChIInChI=1S/C11H23N/c1-6-9-12-10(2)7-8-11(3,4)5/h6-9H2,1-5H3/b12-10+
InChIKeyGJUXKDJFYNYBTJ-ZRDIBKRKSA-N
MW169.31 g/mol
LogP3.68
Rot. Bonds4

About 5,5-dimethyl-N-propylhexan-2-imine

5,5-dimethyl-N-propylhexan-2-imine (PubChem CID 89041901) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 5,5-dimethyl-N-propylhexan-2-imine.

Molecular Properties

Compound Name5,5-dimethyl-N-propylhexan-2-imine
PubChem CID89041901
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name5,5-dimethyl-N-propylhexan-2-imine
SMILESCCC/N=C(\C)CCC(C)(C)C
InChIInChI=1S/C11H23N/c1-6-9-12-10(2)7-8-11(3,4)5/h6-9H2,1-5H3/b12-10+
InChIKeyGJUXKDJFYNYBTJ-ZRDIBKRKSA-N
XLogP3.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-tert-Butyl-2,3,4,5-tetrahydropyridine
CID 546050
5-tert-butyl-3,4-dihydro-2H-pyrrole
CID 2777143
3,4,5,6-Tetrahydro-2,3,3-trimethylpyridine
CID 13157776
6-ethyl-3,3-dimethyl-4,5-dihydro-2H-pyridine
CID 91327757
5-Ethyl-3,3-dimethyl-2,4-dihydropyrrole
CID 15652690
5-tert-butyl-4-methyl-3,4-dihydro-2H-pyrrole
CID 55264230
3,3-Dimethyl-5-propyl-2,4-dihydropyrrole
CID 86038826
3,3,6-trimethyl-4,5-dihydro-2H-pyridine
CID 134923808
3-ethyl-3,6-dimethyl-4,5-dihydro-2H-pyridine
CID 134923809
6,6,7-Trimethyl-2,3,4,5-tetrahydroazepine
CID 134923946
3-Ethyl-3,5-dimethyl-2,4-dihydropyrrole
CID 134924191
3,5-Diethyl-3-methyl-2,4-dihydropyrrole
CID 134925625

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-propylhexan-2-imine?
The IUPAC name of 5,5-dimethyl-N-propylhexan-2-imine (CID 89041901) is 5,5-dimethyl-N-propylhexan-2-imine.
What is the SMILES notation for 5,5-dimethyl-N-propylhexan-2-imine?
The canonical SMILES for 5,5-dimethyl-N-propylhexan-2-imine is CCC/N=C(\C)CCC(C)(C)C.
What is the InChIKey of 5,5-dimethyl-N-propylhexan-2-imine?
The InChIKey is GJUXKDJFYNYBTJ-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H23N/c1-6-9-12-10(2)7-8-11(3,4)5/h6-9H2,1-5H3/b12-10+.
What are the key properties of 5,5-dimethyl-N-propylhexan-2-imine?
5,5-dimethyl-N-propylhexan-2-imine has a molecular weight of 169.31 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-propylhexan-2-imine is sourced from PubChem (CID 89041901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).