aniline;cyclohexyl formate

C13H19NO2 — CID 160794609

IUPACaniline;cyclohexyl formate
SMILESNc1ccccc1.O=COC1CCCCC1
InChIInChI=1S/C7H12O2.C6H7N/c8-6-9-7-4-2-1-3-5-7;7-6-4-2-1-3-5-6/h6-7H,1-5H2;1-5H,7H2
InChIKeySCGSUWBQSTVZAG-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.76
Rot. Bonds2

About aniline;cyclohexyl formate

aniline;cyclohexyl formate (PubChem CID 160794609) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is aniline;cyclohexyl formate.

Molecular Properties

Compound Nameaniline;cyclohexyl formate
PubChem CID160794609
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Nameaniline;cyclohexyl formate
SMILESNc1ccccc1.O=COC1CCCCC1
InChIInChI=1S/C7H12O2.C6H7N/c8-6-9-7-4-2-1-3-5-7;7-6-4-2-1-3-5-6/h6-7H,1-5H2;1-5H,7H2
InChIKeySCGSUWBQSTVZAG-UHFFFAOYSA-N
XLogP2.76
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cyclononyl formate
CID 87065625
aniline;cyclobutane
CID 174919664
cyclohexyl formate;piperidine
CID 174620943
2-cyclohexyloxyethenylbenzene
CID 67017506
(E)-3-cyclohexyloxy-1-phenylprop-2-en-1-one
CID 102524149
(2-phenylcyclohexyl) formate
CID 87286934
magnesium;cyclohexyloxybenzene;hydride
CID 174438663
1,2,3,4-tetrahydronaphthalen-2-yl formate
CID 88796970
aniline;cyclobutanecarboxamide
CID 145209318
1-cyclohexyloxy-4-phenoxybenzene
CID 70600234
1-(7-cyclononyloxycyclodeca-1,3,5,7,9-pentaen-1-yl)ethanone
CID 91060627
aniline;mercury(2+)
CID 23616182

Frequently Asked Questions

What is the IUPAC name of aniline;cyclohexyl formate?
The IUPAC name of aniline;cyclohexyl formate (CID 160794609) is aniline;cyclohexyl formate.
What is the SMILES notation for aniline;cyclohexyl formate?
The canonical SMILES for aniline;cyclohexyl formate is Nc1ccccc1.O=COC1CCCCC1.
What is the InChIKey of aniline;cyclohexyl formate?
The InChIKey is SCGSUWBQSTVZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.C6H7N/c8-6-9-7-4-2-1-3-5-7;7-6-4-2-1-3-5-6/h6-7H,1-5H2;1-5H,7H2.
What are the key properties of aniline;cyclohexyl formate?
aniline;cyclohexyl formate has a molecular weight of 221.30 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;cyclohexyl formate is sourced from PubChem (CID 160794609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).