N-[1-(4-fluoro-4-methylcyclohexyl)-2-methylprop-2-enyl]-5-methylhex-1-en-2-amine

C18H32FN — CID 142110250

IUPACN-[1-(4-fluoro-4-methylcyclohexyl)-2-methylprop-2-enyl]-5-methylhex-1-en-2-amine
SMILESC=C(CCC(C)C)NC(C(=C)C)C1CCC(C)(F)CC1
InChIInChI=1S/C18H32FN/c1-13(2)7-8-15(5)20-17(14(3)4)16-9-11-18(6,19)12-10-16/h13,16-17,20H,3,5,7-12H2,1-2,4,6H3
InChIKeyNPSJXNYERXRJIR-UHFFFAOYSA-N
MW281.46 g/mol
LogP5.39
Rot. Bonds7

About N-[1-(4-fluoro-4-methylcyclohexyl)-2-methylprop-2-enyl]-5-methylhex-1-en-2-amine

N-[1-(4-fluoro-4-methylcyclohexyl)-2-methylprop-2-enyl]-5-methylhex-1-en-2-amine (PubChem CID 142110250) has the molecular formula C18H32FN and a molecular weight of 281.46 g/mol. Its IUPAC name is N-[1-(4-fluoro-4-methylcyclohexyl)-2-methylprop-2-enyl]-5-methylhex-1-en-2-amine.

Molecular Properties

Compound NameN-[1-(4-fluoro-4-methylcyclohexyl)-2-methylprop-2-enyl]-5-methylhex-1-en-2-amine
PubChem CID142110250
Molecular FormulaC18H32FN
Molecular Weight281.46 g/mol
Exact Mass281.25
IUPAC NameN-[1-(4-fluoro-4-methylcyclohexyl)-2-methylprop-2-enyl]-5-methylhex-1-en-2-amine
SMILESC=C(CCC(C)C)NC(C(=C)C)C1CCC(C)(F)CC1
InChIInChI=1S/C18H32FN/c1-13(2)7-8-15(5)20-17(14(3)4)16-9-11-18(6,19)12-10-16/h13,16-17,20H,3,5,7-12H2,1-2,4,6H3
InChIKeyNPSJXNYERXRJIR-UHFFFAOYSA-N
XLogP5.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.46
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 89108112
CID 89108112
CID 126559121
CID 126559121
CID 138459920
CID 138459920
CID 138459930
CID 138459930
CID 156099488
CID 156099488
CID 156099681
CID 156099681
CID 169881078
CID 169881078
CID 169971563
CID 169971563
CID 174252655
CID 174252655
CID 174336602
CID 174336602
CID 105163027
CID 105163027
CID 105163183
CID 105163183

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluoro-4-methylcyclohexyl)-2-methylprop-2-enyl]-5-methylhex-1-en-2-amine?
The IUPAC name of N-[1-(4-fluoro-4-methylcyclohexyl)-2-methylprop-2-enyl]-5-methylhex-1-en-2-amine (CID 142110250) is N-[1-(4-fluoro-4-methylcyclohexyl)-2-methylprop-2-enyl]-5-methylhex-1-en-2-amine.
What is the SMILES notation for N-[1-(4-fluoro-4-methylcyclohexyl)-2-methylprop-2-enyl]-5-methylhex-1-en-2-amine?
The canonical SMILES for N-[1-(4-fluoro-4-methylcyclohexyl)-2-methylprop-2-enyl]-5-methylhex-1-en-2-amine is C=C(CCC(C)C)NC(C(=C)C)C1CCC(C)(F)CC1.
What is the InChIKey of N-[1-(4-fluoro-4-methylcyclohexyl)-2-methylprop-2-enyl]-5-methylhex-1-en-2-amine?
The InChIKey is NPSJXNYERXRJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32FN/c1-13(2)7-8-15(5)20-17(14(3)4)16-9-11-18(6,19)12-10-16/h13,16-17,20H,3,5,7-12H2,1-2,4,6H3.
What are the key properties of N-[1-(4-fluoro-4-methylcyclohexyl)-2-methylprop-2-enyl]-5-methylhex-1-en-2-amine?
N-[1-(4-fluoro-4-methylcyclohexyl)-2-methylprop-2-enyl]-5-methylhex-1-en-2-amine has a molecular weight of 281.46 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluoro-4-methylcyclohexyl)-2-methylprop-2-enyl]-5-methylhex-1-en-2-amine is sourced from PubChem (CID 142110250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).