N-butyl-2-fluoro-4-morpholin-4-ylcyclohexan-1-amine

C14H27FN2O — CID 178010997

IUPACN-butyl-2-fluoro-4-morpholin-4-ylcyclohexan-1-amine
SMILESCCCCNC1CCC(N2CCOCC2)CC1F
InChIInChI=1S/C14H27FN2O/c1-2-3-6-16-14-5-4-12(11-13(14)15)17-7-9-18-10-8-17/h12-14,16H,2-11H2,1H3
InChIKeyUSBWWCGLUGVOAI-UHFFFAOYSA-N
MW258.38 g/mol
LogP1.97
Rot. Bonds5

About N-butyl-2-fluoro-4-morpholin-4-ylcyclohexan-1-amine

N-butyl-2-fluoro-4-morpholin-4-ylcyclohexan-1-amine (PubChem CID 178010997) has the molecular formula C14H27FN2O and a molecular weight of 258.38 g/mol. Its IUPAC name is N-butyl-2-fluoro-4-morpholin-4-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-butyl-2-fluoro-4-morpholin-4-ylcyclohexan-1-amine
PubChem CID178010997
Molecular FormulaC14H27FN2O
Molecular Weight258.38 g/mol
Exact Mass258.21
IUPAC NameN-butyl-2-fluoro-4-morpholin-4-ylcyclohexan-1-amine
SMILESCCCCNC1CCC(N2CCOCC2)CC1F
InChIInChI=1S/C14H27FN2O/c1-2-3-6-16-14-5-4-12(11-13(14)15)17-7-9-18-10-8-17/h12-14,16H,2-11H2,1H3
InChIKeyUSBWWCGLUGVOAI-UHFFFAOYSA-N
XLogP1.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Morpholin-4-yl)cyclohexan-1-amine
CID 12447267
Rac-(1r,4r)-4-(morpholin-4-yl)cyclohexan-1-amine dihydrochloride
CID 67126408
1-methyl-N-[3-(morpholin-4-yl)propyl]piperidin-4-amine
CID 4712096
4-Cyclohexylmorpholin-4-ium chloride
CID 53447242
trans-4-Morpholinocyclohexanamine
CID 22562152
N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 57494007
4-(3-Fluoro-piperidin-4-yl)-morpholine
CID 68670746
(2S,6R)-4-[(3S,4R)-3-fluoropiperidin-4-yl]-2,6-dimethylmorpholine
CID 118406808
(2S,6R)-4-(3-fluoropiperidin-4-yl)-2,6-dimethylmorpholine
CID 118407419
3-Fluoro-1-(2-methoxyethyl)piperidin-4-amine
CID 119054836
4-N-(2-ethoxy-3,3,3-trifluoropropyl)cyclohexane-1,4-diamine
CID 123436184
4-(3-Fluoropiperidin-4-yl)-2,6-dimethylmorpholine
CID 126517839

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-fluoro-4-morpholin-4-ylcyclohexan-1-amine?
The IUPAC name of N-butyl-2-fluoro-4-morpholin-4-ylcyclohexan-1-amine (CID 178010997) is N-butyl-2-fluoro-4-morpholin-4-ylcyclohexan-1-amine.
What is the SMILES notation for N-butyl-2-fluoro-4-morpholin-4-ylcyclohexan-1-amine?
The canonical SMILES for N-butyl-2-fluoro-4-morpholin-4-ylcyclohexan-1-amine is CCCCNC1CCC(N2CCOCC2)CC1F.
What is the InChIKey of N-butyl-2-fluoro-4-morpholin-4-ylcyclohexan-1-amine?
The InChIKey is USBWWCGLUGVOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FN2O/c1-2-3-6-16-14-5-4-12(11-13(14)15)17-7-9-18-10-8-17/h12-14,16H,2-11H2,1H3.
What are the key properties of N-butyl-2-fluoro-4-morpholin-4-ylcyclohexan-1-amine?
N-butyl-2-fluoro-4-morpholin-4-ylcyclohexan-1-amine has a molecular weight of 258.38 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-fluoro-4-morpholin-4-ylcyclohexan-1-amine is sourced from PubChem (CID 178010997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).