N,5,5-trimethyl-3-propoxycyclohex-2-en-1-imine

C12H21NO — CID 11141837

IUPACN,5,5-trimethyl-3-propoxycyclohex-2-en-1-imine
SMILESCCCOC1=C/C(=N\C)CC(C)(C)C1
InChIInChI=1S/C12H21NO/c1-5-6-14-11-7-10(13-4)8-12(2,3)9-11/h7H,5-6,8-9H2,1-4H3/b13-10+
InChIKeyYUKXZKRGHCTBHC-JLHYYAGUSA-N
MW195.31 g/mol
LogP3.19
Rot. Bonds3

About N,5,5-trimethyl-3-propoxycyclohex-2-en-1-imine

N,5,5-trimethyl-3-propoxycyclohex-2-en-1-imine (PubChem CID 11141837) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N,5,5-trimethyl-3-propoxycyclohex-2-en-1-imine.

Molecular Properties

Compound NameN,5,5-trimethyl-3-propoxycyclohex-2-en-1-imine
PubChem CID11141837
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN,5,5-trimethyl-3-propoxycyclohex-2-en-1-imine
SMILESCCCOC1=C/C(=N\C)CC(C)(C)C1
InChIInChI=1S/C12H21NO/c1-5-6-14-11-7-10(13-4)8-12(2,3)9-11/h7H,5-6,8-9H2,1-4H3/b13-10+
InChIKeyYUKXZKRGHCTBHC-JLHYYAGUSA-N
XLogP3.19
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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,5,5-trimethyl-3-propoxycyclohex-2-en-1-imine?
The IUPAC name of N,5,5-trimethyl-3-propoxycyclohex-2-en-1-imine (CID 11141837) is N,5,5-trimethyl-3-propoxycyclohex-2-en-1-imine.
What is the SMILES notation for N,5,5-trimethyl-3-propoxycyclohex-2-en-1-imine?
The canonical SMILES for N,5,5-trimethyl-3-propoxycyclohex-2-en-1-imine is CCCOC1=C/C(=N\C)CC(C)(C)C1.
What is the InChIKey of N,5,5-trimethyl-3-propoxycyclohex-2-en-1-imine?
The InChIKey is YUKXZKRGHCTBHC-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H21NO/c1-5-6-14-11-7-10(13-4)8-12(2,3)9-11/h7H,5-6,8-9H2,1-4H3/b13-10+.
What are the key properties of N,5,5-trimethyl-3-propoxycyclohex-2-en-1-imine?
N,5,5-trimethyl-3-propoxycyclohex-2-en-1-imine has a molecular weight of 195.31 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,5-trimethyl-3-propoxycyclohex-2-en-1-imine is sourced from PubChem (CID 11141837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).