N-butan-2-yloxycyclohexanimine

C10H19NO — CID 91826114

IUPACN-butan-2-yloxycyclohexanimine
SMILESCCC(C)ON=C1CCCCC1
InChIInChI=1S/C10H19NO/c1-3-9(2)12-11-10-7-5-4-6-8-10/h9H,3-8H2,1-2H3
InChIKeyMWQSPUVUAVLQTR-UHFFFAOYSA-N
MW169.27 g/mol
LogP3.12
Rot. Bonds3

About N-butan-2-yloxycyclohexanimine

N-butan-2-yloxycyclohexanimine (PubChem CID 91826114) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-butan-2-yloxycyclohexanimine.

Molecular Properties

Compound NameN-butan-2-yloxycyclohexanimine
PubChem CID91826114
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-butan-2-yloxycyclohexanimine
SMILESCCC(C)ON=C1CCCCC1
InChIInChI=1S/C10H19NO/c1-3-9(2)12-11-10-7-5-4-6-8-10/h9H,3-8H2,1-2H3
InChIKeyMWQSPUVUAVLQTR-UHFFFAOYSA-N
XLogP3.12
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Cyclohexanone, O-ethyloxime
CID 574708
Cyclohexane-1,2-dione 1-(O-isopropyl-oxime) 2-oxime
CID 135789688
N-butoxycyclohexanimine
CID 12614250
(Z)-N-butan-2-yloxybutan-2-imine
CID 12696242
N-propan-2-yloxycyclododecanimine
CID 17887260
N-propoxycyclohexanimine
CID 20494551
N-propan-2-yloxycyclohexanimine
CID 23466974
N-butan-2-yloxybutan-2-imine
CID 53639231
N-[(2-methylpropan-2-yl)oxy]cyclohexanimine
CID 53957123
N-(2-methylpropoxy)cyclohexanimine
CID 58362930
3,6-dimethyl-5,6-dihydro-4H-oxazine
CID 59168896
N-ethoxyhexan-2-imine
CID 86028505

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yloxycyclohexanimine?
The IUPAC name of N-butan-2-yloxycyclohexanimine (CID 91826114) is N-butan-2-yloxycyclohexanimine.
What is the SMILES notation for N-butan-2-yloxycyclohexanimine?
The canonical SMILES for N-butan-2-yloxycyclohexanimine is CCC(C)ON=C1CCCCC1.
What is the InChIKey of N-butan-2-yloxycyclohexanimine?
The InChIKey is MWQSPUVUAVLQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-9(2)12-11-10-7-5-4-6-8-10/h9H,3-8H2,1-2H3.
What are the key properties of N-butan-2-yloxycyclohexanimine?
N-butan-2-yloxycyclohexanimine has a molecular weight of 169.27 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yloxycyclohexanimine is sourced from PubChem (CID 91826114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).