N-[1-(1-fluorocyclobutyl)ethenyl]-2,2,4-trimethylpentan-3-amine

C14H26FN — CID 171516200

IUPACN-[1-(1-fluorocyclobutyl)ethenyl]-2,2,4-trimethylpentan-3-amine
SMILESC=C(NC(C(C)C)C(C)(C)C)C1(F)CCC1
InChIInChI=1S/C14H26FN/c1-10(2)12(13(4,5)6)16-11(3)14(15)8-7-9-14/h10,12,16H,3,7-9H2,1-2,4-6H3
InChIKeyHUNYQMSVVRGUHO-UHFFFAOYSA-N
MW227.37 g/mol
LogP4.05
Rot. Bonds4

About N-[1-(1-fluorocyclobutyl)ethenyl]-2,2,4-trimethylpentan-3-amine

N-[1-(1-fluorocyclobutyl)ethenyl]-2,2,4-trimethylpentan-3-amine (PubChem CID 171516200) has the molecular formula C14H26FN and a molecular weight of 227.37 g/mol. Its IUPAC name is N-[1-(1-fluorocyclobutyl)ethenyl]-2,2,4-trimethylpentan-3-amine.

Molecular Properties

Compound NameN-[1-(1-fluorocyclobutyl)ethenyl]-2,2,4-trimethylpentan-3-amine
PubChem CID171516200
Molecular FormulaC14H26FN
Molecular Weight227.37 g/mol
Exact Mass227.20
IUPAC NameN-[1-(1-fluorocyclobutyl)ethenyl]-2,2,4-trimethylpentan-3-amine
SMILESC=C(NC(C(C)C)C(C)(C)C)C1(F)CCC1
InChIInChI=1S/C14H26FN/c1-10(2)12(13(4,5)6)16-11(3)14(15)8-7-9-14/h10,12,16H,3,7-9H2,1-2,4-6H3
InChIKeyHUNYQMSVVRGUHO-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4R,5S)-2-N-(2,2-dimethylpropyl)-3,3-difluoro-4,6-dimethylhept-1-ene-2,5-diamine
CID 145185610
N-[1-(3,3-difluoro-1-methylcyclobutyl)ethenyl]-2-methylpropan-1-amine
CID 164556248
N-(2-ethyl-4-fluorobutyl)-4,4-dimethylhex-1-en-2-amine
CID 153384724
N-(1-cyclobutylethenyl)-3,3,3-trifluoro-2-methylpropan-1-amine
CID 156816420
(2R)-N-[1-(3,3-difluoro-1-methylcyclobutyl)ethenyl]-3-methylbutan-2-amine
CID 164973242
(2R)-N-[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)ethenyl]-3-methylbutan-2-amine
CID 164977829
(2R)-3-methyl-N-[1-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]ethenyl]butan-2-amine
CID 164984309
(2R)-N-[1-(3,3-difluorocyclobutyl)ethenyl]-3-methylbutan-2-amine
CID 165048192
2,2-difluoro-N-[1-(3-methylcyclobutyl)ethenyl]propan-1-amine
CID 178671296
5,5-dimethyl-N-propylhex-1-en-2-amine
CID 126704253
5-methyl-N-propan-2-ylhex-1-en-2-amine
CID 129015156
3-(methylaminomethyl)-N-pent-1-en-2-ylcyclobutan-1-amine
CID 129028973

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-fluorocyclobutyl)ethenyl]-2,2,4-trimethylpentan-3-amine?
The IUPAC name of N-[1-(1-fluorocyclobutyl)ethenyl]-2,2,4-trimethylpentan-3-amine (CID 171516200) is N-[1-(1-fluorocyclobutyl)ethenyl]-2,2,4-trimethylpentan-3-amine.
What is the SMILES notation for N-[1-(1-fluorocyclobutyl)ethenyl]-2,2,4-trimethylpentan-3-amine?
The canonical SMILES for N-[1-(1-fluorocyclobutyl)ethenyl]-2,2,4-trimethylpentan-3-amine is C=C(NC(C(C)C)C(C)(C)C)C1(F)CCC1.
What is the InChIKey of N-[1-(1-fluorocyclobutyl)ethenyl]-2,2,4-trimethylpentan-3-amine?
The InChIKey is HUNYQMSVVRGUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FN/c1-10(2)12(13(4,5)6)16-11(3)14(15)8-7-9-14/h10,12,16H,3,7-9H2,1-2,4-6H3.
What are the key properties of N-[1-(1-fluorocyclobutyl)ethenyl]-2,2,4-trimethylpentan-3-amine?
N-[1-(1-fluorocyclobutyl)ethenyl]-2,2,4-trimethylpentan-3-amine has a molecular weight of 227.37 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-fluorocyclobutyl)ethenyl]-2,2,4-trimethylpentan-3-amine is sourced from PubChem (CID 171516200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).