N-(3-propan-2-yloxypropyl)cyclohexanimine

C12H23NO — CID 15930893

IUPACN-(3-propan-2-yloxypropyl)cyclohexanimine
SMILESCC(C)OCCCN=C1CCCCC1
InChIInChI=1S/C12H23NO/c1-11(2)14-10-6-9-13-12-7-4-3-5-8-12/h11H,3-10H2,1-2H3
InChIKeyMXQGOCUFVOIQDY-UHFFFAOYSA-N
MW197.32 g/mol
LogP3.21
Rot. Bonds5

About N-(3-propan-2-yloxypropyl)cyclohexanimine

N-(3-propan-2-yloxypropyl)cyclohexanimine (PubChem CID 15930893) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-(3-propan-2-yloxypropyl)cyclohexanimine.

Molecular Properties

Compound NameN-(3-propan-2-yloxypropyl)cyclohexanimine
PubChem CID15930893
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-(3-propan-2-yloxypropyl)cyclohexanimine
SMILESCC(C)OCCCN=C1CCCCC1
InChIInChI=1S/C12H23NO/c1-11(2)14-10-6-9-13-12-7-4-3-5-8-12/h11H,3-10H2,1-2H3
InChIKeyMXQGOCUFVOIQDY-UHFFFAOYSA-N
XLogP3.21
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 53.21
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-(3-propan-2-yloxypropyl)cyclohexanimine?
The IUPAC name of N-(3-propan-2-yloxypropyl)cyclohexanimine (CID 15930893) is N-(3-propan-2-yloxypropyl)cyclohexanimine.
What is the SMILES notation for N-(3-propan-2-yloxypropyl)cyclohexanimine?
The canonical SMILES for N-(3-propan-2-yloxypropyl)cyclohexanimine is CC(C)OCCCN=C1CCCCC1.
What is the InChIKey of N-(3-propan-2-yloxypropyl)cyclohexanimine?
The InChIKey is MXQGOCUFVOIQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-11(2)14-10-6-9-13-12-7-4-3-5-8-12/h11H,3-10H2,1-2H3.
What are the key properties of N-(3-propan-2-yloxypropyl)cyclohexanimine?
N-(3-propan-2-yloxypropyl)cyclohexanimine has a molecular weight of 197.32 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yloxypropyl)cyclohexanimine is sourced from PubChem (CID 15930893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).