3-fluoro-N-(3-methylbut-1-en-2-yl)cyclohexan-1-amine

C11H20FN — CID 178017829

IUPAC3-fluoro-N-(3-methylbut-1-en-2-yl)cyclohexan-1-amine
SMILESC=C(NC1CCCC(F)C1)C(C)C
InChIInChI=1S/C11H20FN/c1-8(2)9(3)13-11-6-4-5-10(12)7-11/h8,10-11,13H,3-7H2,1-2H3
InChIKeyUHDIGPYDJWGJOT-UHFFFAOYSA-N
MW185.29 g/mol
LogP3.03
Rot. Bonds3

About 3-fluoro-N-(3-methylbut-1-en-2-yl)cyclohexan-1-amine

3-fluoro-N-(3-methylbut-1-en-2-yl)cyclohexan-1-amine (PubChem CID 178017829) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is 3-fluoro-N-(3-methylbut-1-en-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-fluoro-N-(3-methylbut-1-en-2-yl)cyclohexan-1-amine
PubChem CID178017829
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name3-fluoro-N-(3-methylbut-1-en-2-yl)cyclohexan-1-amine
SMILESC=C(NC1CCCC(F)C1)C(C)C
InChIInChI=1S/C11H20FN/c1-8(2)9(3)13-11-6-4-5-10(12)7-11/h8,10-11,13H,3-7H2,1-2H3
InChIKeyUHDIGPYDJWGJOT-UHFFFAOYSA-N
XLogP3.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(3-methylbut-1-en-2-yl)cyclohexan-1-amine?
The IUPAC name of 3-fluoro-N-(3-methylbut-1-en-2-yl)cyclohexan-1-amine (CID 178017829) is 3-fluoro-N-(3-methylbut-1-en-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 3-fluoro-N-(3-methylbut-1-en-2-yl)cyclohexan-1-amine?
The canonical SMILES for 3-fluoro-N-(3-methylbut-1-en-2-yl)cyclohexan-1-amine is C=C(NC1CCCC(F)C1)C(C)C.
What is the InChIKey of 3-fluoro-N-(3-methylbut-1-en-2-yl)cyclohexan-1-amine?
The InChIKey is UHDIGPYDJWGJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN/c1-8(2)9(3)13-11-6-4-5-10(12)7-11/h8,10-11,13H,3-7H2,1-2H3.
What are the key properties of 3-fluoro-N-(3-methylbut-1-en-2-yl)cyclohexan-1-amine?
3-fluoro-N-(3-methylbut-1-en-2-yl)cyclohexan-1-amine has a molecular weight of 185.29 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(3-methylbut-1-en-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 178017829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).