6-(cyclohexylamino)hexyl formate

C13H25NO2 — CID 87065748

IUPAC6-(cyclohexylamino)hexyl formate
SMILESO=COCCCCCCNC1CCCCC1
InChIInChI=1S/C13H25NO2/c15-12-16-11-7-2-1-6-10-14-13-8-4-3-5-9-13/h12-14H,1-11H2
InChIKeyOZUHSZBEGOGBOE-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.64
Rot. Bonds9

About 6-(cyclohexylamino)hexyl formate

6-(cyclohexylamino)hexyl formate (PubChem CID 87065748) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 6-(cyclohexylamino)hexyl formate.

Molecular Properties

Compound Name6-(cyclohexylamino)hexyl formate
PubChem CID87065748
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name6-(cyclohexylamino)hexyl formate
SMILESO=COCCCCCCNC1CCCCC1
InChIInChI=1S/C13H25NO2/c15-12-16-11-7-2-1-6-10-14-13-8-4-3-5-9-13/h12-14H,1-11H2
InChIKeyOZUHSZBEGOGBOE-UHFFFAOYSA-N
XLogP2.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dicyclohexyloctane-1,8-diamine;dihydrochloride
CID 3029604
N-(5-methoxypentyl)cyclooctanamine
CID 115714847
4-(cyclohexylamino)butanal
CID 140677611
N-(4-ethoxybutyl)cycloheptanamine
CID 112730026
4-(cyclohexylamino)butyl sulfite
CID 91264096
N-(3-cycloheptyloxypropyl)cyclohexanamine
CID 62583654
N-(3-cyclohexyloxypropyl)cyclopentanamine
CID 28720049
4-cyclohexylbutyl formate
CID 87468651
N-(3-octoxypropyl)cyclohexanamine
CID 63506430
N-dodecylcyclohexanamine
CID 3679395
O-[3-(cyclohexylamino)propyl]hydroxylamine
CID 139932359
N-(3-prop-2-enoxypropyl)cyclohexanamine
CID 62570820

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylamino)hexyl formate?
The IUPAC name of 6-(cyclohexylamino)hexyl formate (CID 87065748) is 6-(cyclohexylamino)hexyl formate.
What is the SMILES notation for 6-(cyclohexylamino)hexyl formate?
The canonical SMILES for 6-(cyclohexylamino)hexyl formate is O=COCCCCCCNC1CCCCC1.
What is the InChIKey of 6-(cyclohexylamino)hexyl formate?
The InChIKey is OZUHSZBEGOGBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c15-12-16-11-7-2-1-6-10-14-13-8-4-3-5-9-13/h12-14H,1-11H2.
What are the key properties of 6-(cyclohexylamino)hexyl formate?
6-(cyclohexylamino)hexyl formate has a molecular weight of 227.35 g/mol, XLogP of 2.64, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylamino)hexyl formate is sourced from PubChem (CID 87065748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).