4-[(cyclobutylamino)methyl]-4-fluorocyclohexan-1-amine

C11H21FN2 — CID 105453109

IUPAC4-[(cyclobutylamino)methyl]-4-fluorocyclohexan-1-amine
SMILESNC1CCC(F)(CNC2CCC2)CC1
InChIInChI=1S/C11H21FN2/c12-11(6-4-9(13)5-7-11)8-14-10-2-1-3-10/h9-10,14H,1-8,13H2
InChIKeyYMJXSTCDUIHLTP-UHFFFAOYSA-N
MW200.30 g/mol
LogP1.74
Rot. Bonds3

About 4-[(cyclobutylamino)methyl]-4-fluorocyclohexan-1-amine

4-[(cyclobutylamino)methyl]-4-fluorocyclohexan-1-amine (PubChem CID 105453109) has the molecular formula C11H21FN2 and a molecular weight of 200.30 g/mol. Its IUPAC name is 4-[(cyclobutylamino)methyl]-4-fluorocyclohexan-1-amine.

Molecular Properties

Compound Name4-[(cyclobutylamino)methyl]-4-fluorocyclohexan-1-amine
PubChem CID105453109
Molecular FormulaC11H21FN2
Molecular Weight200.30 g/mol
Exact Mass200.17
IUPAC Name4-[(cyclobutylamino)methyl]-4-fluorocyclohexan-1-amine
SMILESNC1CCC(F)(CNC2CCC2)CC1
InChIInChI=1S/C11H21FN2/c12-11(6-4-9(13)5-7-11)8-14-10-2-1-3-10/h9-10,14H,1-8,13H2
InChIKeyYMJXSTCDUIHLTP-UHFFFAOYSA-N
XLogP1.74
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[(1-fluorocyclopropyl)methyl]cyclohexane-1,4-diamine
CID 130834768
N-[(1-fluorocyclopropyl)methyl]cyclopropanamine
CID 126994044
N-[(3-amino-1-fluorocyclopentyl)methyl]piperidin-4-amine
CID 105469167
4-fluoro-4-[(trifluoromethylamino)methyl]cyclohexan-1-amine
CID 105467383
N-[(1-fluorocyclopropyl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 126988189
N-[(1-fluorocyclobutyl)methyl]-4-methylcyclohexan-1-amine
CID 130725463
4-amino-1-[(cyclopropylamino)methyl]cyclohexan-1-ol
CID 105441357
N-[(4-fluoropiperidin-4-yl)methyl]piperidin-3-amine
CID 105469153
N-[(1-fluorocyclobutyl)methyl]-3-methylcyclopentan-1-amine
CID 130747190
1-[(cyclobutylamino)methyl]cycloheptan-1-ol
CID 62416530
N-[(3,3-difluorocyclobutyl)methyl]cyclobutanamine
CID 130731920
3-(ethylaminomethyl)-3-fluorocyclopentan-1-amine
CID 105431493

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclobutylamino)methyl]-4-fluorocyclohexan-1-amine?
The IUPAC name of 4-[(cyclobutylamino)methyl]-4-fluorocyclohexan-1-amine (CID 105453109) is 4-[(cyclobutylamino)methyl]-4-fluorocyclohexan-1-amine.
What is the SMILES notation for 4-[(cyclobutylamino)methyl]-4-fluorocyclohexan-1-amine?
The canonical SMILES for 4-[(cyclobutylamino)methyl]-4-fluorocyclohexan-1-amine is NC1CCC(F)(CNC2CCC2)CC1.
What is the InChIKey of 4-[(cyclobutylamino)methyl]-4-fluorocyclohexan-1-amine?
The InChIKey is YMJXSTCDUIHLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2/c12-11(6-4-9(13)5-7-11)8-14-10-2-1-3-10/h9-10,14H,1-8,13H2.
What are the key properties of 4-[(cyclobutylamino)methyl]-4-fluorocyclohexan-1-amine?
4-[(cyclobutylamino)methyl]-4-fluorocyclohexan-1-amine has a molecular weight of 200.30 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclobutylamino)methyl]-4-fluorocyclohexan-1-amine is sourced from PubChem (CID 105453109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).