N-tert-butyl-2-cyclohexylidenepropan-1-imine

C13H23N — CID 134889888

IUPACN-tert-butyl-2-cyclohexylidenepropan-1-imine
SMILESCC(/C=N/C(C)(C)C)=C1CCCCC1
InChIInChI=1S/C13H23N/c1-11(10-14-13(2,3)4)12-8-6-5-7-9-12/h10H,5-9H2,1-4H3/b14-10+
InChIKeyIBROVHDAISZKDP-GXDHUFHOSA-N
MW193.33 g/mol
LogP4.14
Rot. Bonds1

About N-tert-butyl-2-cyclohexylidenepropan-1-imine

N-tert-butyl-2-cyclohexylidenepropan-1-imine (PubChem CID 134889888) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-tert-butyl-2-cyclohexylidenepropan-1-imine.

Molecular Properties

Compound NameN-tert-butyl-2-cyclohexylidenepropan-1-imine
PubChem CID134889888
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-tert-butyl-2-cyclohexylidenepropan-1-imine
SMILESCC(/C=N/C(C)(C)C)=C1CCCCC1
InChIInChI=1S/C13H23N/c1-11(10-14-13(2,3)4)12-8-6-5-7-9-12/h10H,5-9H2,1-4H3/b14-10+
InChIKeyIBROVHDAISZKDP-GXDHUFHOSA-N
XLogP4.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.14
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

N-tert-butyl-2-cyclohexylideneethanimine
CID 85777573
N-butan-2-yl-2,3-dimethylhex-2-en-1-imine
CID 123274306
N-methyl-2-propan-2-ylidenecyclohexan-1-imine
CID 123552450
5-Ethyl-2,4-dimethyl-2,3-dihydropyridine
CID 123756671
(Z)-N,2,3-trimethylhex-2-en-1-imine
CID 123933365
N-propan-2-yl-2-propan-2-ylidenepentan-1-imine
CID 126637189
(Z)-N,2-diethyl-3-methylhex-2-en-1-imine
CID 126714384
(E)-3-ethyl-N,2-dimethyloct-2-en-1-imine
CID 134424328
(E)-N,3-dimethyl-2-propylpent-2-en-1-imine
CID 134478588
2,4,5-Trimethyl-2,3-dihydropyridine
CID 141811111
(2E)-2-hexan-2-ylidene-N-methylcyclohexan-1-imine
CID 141880001
N-ethyl-2-propan-2-ylidenecyclohexan-1-imine
CID 142128132

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-cyclohexylidenepropan-1-imine?
The IUPAC name of N-tert-butyl-2-cyclohexylidenepropan-1-imine (CID 134889888) is N-tert-butyl-2-cyclohexylidenepropan-1-imine.
What is the SMILES notation for N-tert-butyl-2-cyclohexylidenepropan-1-imine?
The canonical SMILES for N-tert-butyl-2-cyclohexylidenepropan-1-imine is CC(/C=N/C(C)(C)C)=C1CCCCC1.
What is the InChIKey of N-tert-butyl-2-cyclohexylidenepropan-1-imine?
The InChIKey is IBROVHDAISZKDP-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H23N/c1-11(10-14-13(2,3)4)12-8-6-5-7-9-12/h10H,5-9H2,1-4H3/b14-10+.
What are the key properties of N-tert-butyl-2-cyclohexylidenepropan-1-imine?
N-tert-butyl-2-cyclohexylidenepropan-1-imine has a molecular weight of 193.33 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-cyclohexylidenepropan-1-imine is sourced from PubChem (CID 134889888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).