1-(3-bicyclo[3.1.0]hexanyl)-5,5,5-trifluoro-N-propylpentan-1-amine

C14H24F3N — CID 105023867

IUPAC1-(3-bicyclo[3.1.0]hexanyl)-5,5,5-trifluoro-N-propylpentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)C1CC2CC2C1
InChIInChI=1S/C14H24F3N/c1-2-6-18-13(4-3-5-14(15,16)17)12-8-10-7-11(10)9-12/h10-13,18H,2-9H2,1H3
InChIKeyMMQSMBKHCZGBBP-UHFFFAOYSA-N
MW263.35 g/mol
LogP4.13
Rot. Bonds7

About 1-(3-bicyclo[3.1.0]hexanyl)-5,5,5-trifluoro-N-propylpentan-1-amine

1-(3-bicyclo[3.1.0]hexanyl)-5,5,5-trifluoro-N-propylpentan-1-amine (PubChem CID 105023867) has the molecular formula C14H24F3N and a molecular weight of 263.35 g/mol. Its IUPAC name is 1-(3-bicyclo[3.1.0]hexanyl)-5,5,5-trifluoro-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(3-bicyclo[3.1.0]hexanyl)-5,5,5-trifluoro-N-propylpentan-1-amine
PubChem CID105023867
Molecular FormulaC14H24F3N
Molecular Weight263.35 g/mol
Exact Mass263.19
IUPAC Name1-(3-bicyclo[3.1.0]hexanyl)-5,5,5-trifluoro-N-propylpentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)C1CC2CC2C1
InChIInChI=1S/C14H24F3N/c1-2-6-18-13(4-3-5-14(15,16)17)12-8-10-7-11(10)9-12/h10-13,18H,2-9H2,1H3
InChIKeyMMQSMBKHCZGBBP-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-bicyclo[3.1.0]hexanyl)-5,5,5-trifluoro-N-propylpentan-1-amine with MolForge

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Related Compounds

5,5,5-trifluoro-1-(oxan-3-yl)-N-propylpentan-1-amine
CID 113327066
5,5,5-trifluoro-1-(2-methylcyclopentyl)-N-propylpentan-1-amine
CID 107190458
5,5,5-trifluoro-1-(4-methylmorpholin-2-yl)-N-propylpentan-1-amine
CID 115517290
5,5,5-trifluoro-1-(3-methyl-1,4-dithian-2-yl)-N-propylpentan-1-amine
CID 115517593
1-(3-ethyl-1,4-dithian-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 115517599
N-[1-(3-bicyclo[3.1.0]hexanyl)-2-cyclobutylethyl]propan-1-amine
CID 115863402
5,5,5-trifluoro-N-propyl-1-(4-propylmorpholin-2-yl)pentan-1-amine
CID 115517365
1-(3-methylcyclobutyl)-N-propylbutan-1-amine
CID 103565371
1-cyclopropyl-N-propylhexan-1-amine
CID 62600983
8,8,8-trifluoro-2-methyl-N-propyloctan-4-amine
CID 115516392
1-(3-bicyclo[3.1.0]hexanyl)pentylhydrazine
CID 105293745
1-(3-bicyclo[3.1.0]hexanyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 115854202

Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-5,5,5-trifluoro-N-propylpentan-1-amine?
The IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-5,5,5-trifluoro-N-propylpentan-1-amine (CID 105023867) is 1-(3-bicyclo[3.1.0]hexanyl)-5,5,5-trifluoro-N-propylpentan-1-amine.
What is the SMILES notation for 1-(3-bicyclo[3.1.0]hexanyl)-5,5,5-trifluoro-N-propylpentan-1-amine?
The canonical SMILES for 1-(3-bicyclo[3.1.0]hexanyl)-5,5,5-trifluoro-N-propylpentan-1-amine is CCCNC(CCCC(F)(F)F)C1CC2CC2C1.
What is the InChIKey of 1-(3-bicyclo[3.1.0]hexanyl)-5,5,5-trifluoro-N-propylpentan-1-amine?
The InChIKey is MMQSMBKHCZGBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N/c1-2-6-18-13(4-3-5-14(15,16)17)12-8-10-7-11(10)9-12/h10-13,18H,2-9H2,1H3.
What are the key properties of 1-(3-bicyclo[3.1.0]hexanyl)-5,5,5-trifluoro-N-propylpentan-1-amine?
1-(3-bicyclo[3.1.0]hexanyl)-5,5,5-trifluoro-N-propylpentan-1-amine has a molecular weight of 263.35 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[3.1.0]hexanyl)-5,5,5-trifluoro-N-propylpentan-1-amine is sourced from PubChem (CID 105023867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).