4-(3-fluorocyclohexyl)butan-2-amine

C10H20FN — CID 84732026

IUPAC4-(3-fluorocyclohexyl)butan-2-amine
SMILESCC(N)CCC1CCCC(F)C1
InChIInChI=1S/C10H20FN/c1-8(12)5-6-9-3-2-4-10(11)7-9/h8-10H,2-7,12H2,1H3
InChIKeyHMVRPMPHUOCPAC-UHFFFAOYSA-N
MW173.27 g/mol
LogP2.64
Rot. Bonds3

About 4-(3-fluorocyclohexyl)butan-2-amine

4-(3-fluorocyclohexyl)butan-2-amine (PubChem CID 84732026) has the molecular formula C10H20FN and a molecular weight of 173.27 g/mol. Its IUPAC name is 4-(3-fluorocyclohexyl)butan-2-amine.

Molecular Properties

Compound Name4-(3-fluorocyclohexyl)butan-2-amine
PubChem CID84732026
Molecular FormulaC10H20FN
Molecular Weight173.27 g/mol
Exact Mass173.16
IUPAC Name4-(3-fluorocyclohexyl)butan-2-amine
SMILESCC(N)CCC1CCCC(F)C1
InChIInChI=1S/C10H20FN/c1-8(12)5-6-9-3-2-4-10(11)7-9/h8-10H,2-7,12H2,1H3
InChIKeyHMVRPMPHUOCPAC-UHFFFAOYSA-N
XLogP2.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.27
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-4-cyclopropylbutan-2-amine
CID 95367313
1-[2-(3-fluorocyclohexyl)ethyl]cyclopropan-1-amine
CID 105441799
1-(3-fluorocyclohexyl)-N-methylpropan-2-amine
CID 84732027
(2S)-4-[(10S)-3,4-dimethyl-1,3-diazabicyclo[8.1.0]undecan-8-yl]butan-2-amine
CID 166650545
4-amino-N-(4-cyclohexylbutan-2-yl)pentanamide
CID 120562906
(2S)-1-cyclobutylpropan-2-amine
CID 66713874
(2R)-1-cyclobutylpropan-2-amine
CID 124506916
1-(3-ethylcyclohexyl)pentan-3-amine
CID 64504617
cis-(1R,3S)-3-fluorocyclohexan-1-amine
CID 86333919
trans-(1S,3S)-3-fluorocyclohexan-1-amine
CID 86333917
4-(3-ethylcyclohexyl)butan-2-ol
CID 64515545
3-(4-methylpentyl)cyclohexan-1-amine
CID 83169215

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorocyclohexyl)butan-2-amine?
The IUPAC name of 4-(3-fluorocyclohexyl)butan-2-amine (CID 84732026) is 4-(3-fluorocyclohexyl)butan-2-amine.
What is the SMILES notation for 4-(3-fluorocyclohexyl)butan-2-amine?
The canonical SMILES for 4-(3-fluorocyclohexyl)butan-2-amine is CC(N)CCC1CCCC(F)C1.
What is the InChIKey of 4-(3-fluorocyclohexyl)butan-2-amine?
The InChIKey is HMVRPMPHUOCPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN/c1-8(12)5-6-9-3-2-4-10(11)7-9/h8-10H,2-7,12H2,1H3.
What are the key properties of 4-(3-fluorocyclohexyl)butan-2-amine?
4-(3-fluorocyclohexyl)butan-2-amine has a molecular weight of 173.27 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorocyclohexyl)butan-2-amine is sourced from PubChem (CID 84732026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).