N-tert-butyl-1,1-dicyclohexylmethanimine

C17H31N — CID 59775247

IUPACN-tert-butyl-1,1-dicyclohexylmethanimine
SMILESCC(C)(C)N=C(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H31N/c1-17(2,3)18-16(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h14-15H,4-13H2,1-3H3
InChIKeyGYMMSRHLUGHWOO-UHFFFAOYSA-N
MW249.44 g/mol
LogP5.39
Rot. Bonds2

About N-tert-butyl-1,1-dicyclohexylmethanimine

N-tert-butyl-1,1-dicyclohexylmethanimine (PubChem CID 59775247) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is N-tert-butyl-1,1-dicyclohexylmethanimine.

Molecular Properties

Compound NameN-tert-butyl-1,1-dicyclohexylmethanimine
PubChem CID59775247
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC NameN-tert-butyl-1,1-dicyclohexylmethanimine
SMILESCC(C)(C)N=C(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H31N/c1-17(2,3)18-16(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h14-15H,4-13H2,1-3H3
InChIKeyGYMMSRHLUGHWOO-UHFFFAOYSA-N
XLogP5.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.44
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1,1-dicyclohexylmethanimine?
The IUPAC name of N-tert-butyl-1,1-dicyclohexylmethanimine (CID 59775247) is N-tert-butyl-1,1-dicyclohexylmethanimine.
What is the SMILES notation for N-tert-butyl-1,1-dicyclohexylmethanimine?
The canonical SMILES for N-tert-butyl-1,1-dicyclohexylmethanimine is CC(C)(C)N=C(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N-tert-butyl-1,1-dicyclohexylmethanimine?
The InChIKey is GYMMSRHLUGHWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-17(2,3)18-16(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h14-15H,4-13H2,1-3H3.
What are the key properties of N-tert-butyl-1,1-dicyclohexylmethanimine?
N-tert-butyl-1,1-dicyclohexylmethanimine has a molecular weight of 249.44 g/mol, XLogP of 5.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1,1-dicyclohexylmethanimine is sourced from PubChem (CID 59775247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).