decan-1-amine;1,1,1,3,3-pentafluoropropane

C13H26F5N — CID 160700488

IUPACdecan-1-amine;1,1,1,3,3-pentafluoropropane
SMILESCCCCCCCCCCN.FC(F)CC(F)(F)F
InChIInChI=1S/C10H23N.C3H3F5/c1-2-3-4-5-6-7-8-9-10-11;4-2(5)1-3(6,7)8/h2-11H2,1H3;2H,1H2
InChIKeyRQOBBVZRHWENJY-UHFFFAOYSA-N
MW291.35 g/mol
LogP5.29
Rot. Bonds9

About decan-1-amine;1,1,1,3,3-pentafluoropropane

decan-1-amine;1,1,1,3,3-pentafluoropropane (PubChem CID 160700488) has the molecular formula C13H26F5N and a molecular weight of 291.35 g/mol. Its IUPAC name is decan-1-amine;1,1,1,3,3-pentafluoropropane.

Molecular Properties

Compound Namedecan-1-amine;1,1,1,3,3-pentafluoropropane
PubChem CID160700488
Molecular FormulaC13H26F5N
Molecular Weight291.35 g/mol
Exact Mass291.20
IUPAC Namedecan-1-amine;1,1,1,3,3-pentafluoropropane
SMILESCCCCCCCCCCN.FC(F)CC(F)(F)F
InChIInChI=1S/C10H23N.C3H3F5/c1-2-3-4-5-6-7-8-9-10-11;4-2(5)1-3(6,7)8/h2-11H2,1H3;2H,1H2
InChIKeyRQOBBVZRHWENJY-UHFFFAOYSA-N
XLogP5.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.35
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tridecan-1-amine;undecan-1-amine
CID 23045943
butane-1,4-diamine;hexan-1-amine
CID 162097736
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
dotetracontan-1-amine
CID 14550497
decane;decane-1,10-diamine;methanediamine
CID 158649191
octadecan-1-amine;titanium
CID 174493472
tetracosan-1-amine;hydrobromide
CID 175600580
octadecan-1-amine;trihydrochloride
CID 175177898
copper;hexan-1-amine
CID 87269039
nonan-1-amine;dihydrate
CID 174770026
pentadecan-1-amine;hydrobromide
CID 173087623

Frequently Asked Questions

What is the IUPAC name of decan-1-amine;1,1,1,3,3-pentafluoropropane?
The IUPAC name of decan-1-amine;1,1,1,3,3-pentafluoropropane (CID 160700488) is decan-1-amine;1,1,1,3,3-pentafluoropropane.
What is the SMILES notation for decan-1-amine;1,1,1,3,3-pentafluoropropane?
The canonical SMILES for decan-1-amine;1,1,1,3,3-pentafluoropropane is CCCCCCCCCCN.FC(F)CC(F)(F)F.
What is the InChIKey of decan-1-amine;1,1,1,3,3-pentafluoropropane?
The InChIKey is RQOBBVZRHWENJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N.C3H3F5/c1-2-3-4-5-6-7-8-9-10-11;4-2(5)1-3(6,7)8/h2-11H2,1H3;2H,1H2.
What are the key properties of decan-1-amine;1,1,1,3,3-pentafluoropropane?
decan-1-amine;1,1,1,3,3-pentafluoropropane has a molecular weight of 291.35 g/mol, XLogP of 5.29, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for decan-1-amine;1,1,1,3,3-pentafluoropropane is sourced from PubChem (CID 160700488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).