ethane;N-ethyl-3-fluoro-3-methyl-N-pentan-3-ylbutan-1-amine

C14H32FN — CID 176567703

IUPACethane;N-ethyl-3-fluoro-3-methyl-N-pentan-3-ylbutan-1-amine
SMILESCC.CCC(CC)N(CC)CCC(C)(C)F
InChIInChI=1S/C12H26FN.C2H6/c1-6-11(7-2)14(8-3)10-9-12(4,5)13;1-2/h11H,6-10H2,1-5H3;1-2H3
InChIKeyIQNLRHGKJKAKSM-UHFFFAOYSA-N
MW233.41 g/mol
LogP4.66
Rot. Bonds7

About ethane;N-ethyl-3-fluoro-3-methyl-N-pentan-3-ylbutan-1-amine

ethane;N-ethyl-3-fluoro-3-methyl-N-pentan-3-ylbutan-1-amine (PubChem CID 176567703) has the molecular formula C14H32FN and a molecular weight of 233.41 g/mol. Its IUPAC name is ethane;N-ethyl-3-fluoro-3-methyl-N-pentan-3-ylbutan-1-amine.

Molecular Properties

Compound Nameethane;N-ethyl-3-fluoro-3-methyl-N-pentan-3-ylbutan-1-amine
PubChem CID176567703
Molecular FormulaC14H32FN
Molecular Weight233.41 g/mol
Exact Mass233.25
IUPAC Nameethane;N-ethyl-3-fluoro-3-methyl-N-pentan-3-ylbutan-1-amine
SMILESCC.CCC(CC)N(CC)CCC(C)(C)F
InChIInChI=1S/C12H26FN.C2H6/c1-6-11(7-2)14(8-3)10-9-12(4,5)13;1-2/h11H,6-10H2,1-5H3;1-2H3
InChIKeyIQNLRHGKJKAKSM-UHFFFAOYSA-N
XLogP4.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.41
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pentan-3-amine
CID 80691309
N,N-diethylpentan-3-amine;hydrobromide
CID 175223065
N-ethyl-3,3,3-trifluoro-N-(1-fluoroethyl)propan-1-amine
CID 141407063
ethane;2-N-ethyl-1-N,1-N-dimethyl-2-N-propylbutane-1,2-diamine
CID 142596203
2-[ethyl(2-hydroxyethyl)amino]butan-1-ol
CID 87456981
N-(2-bromoethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]pentan-3-amine
CID 80691150
N,N-diethylpentan-3-amine;isocyanic acid
CID 88747360
1,3-dibromo-N-(2-bromoethyl)-N-ethylpropan-2-amine
CID 153424545
ethane;2-fluoro-2-methylhexane
CID 142890341
1-N,1-N,1-N',1-N'-tetraethyl-2,2,2-trifluoroethane-1,1-diamine
CID 10561221
ethane;2-fluoro-2-methylbutane
CID 143329956
1-N-[2-[2-[2-(diethylamino)butyl-ethylamino]ethoxy]ethyl]-1-N,2-N,2-N-triethylbutane-1,2-diamine
CID 139919620

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-3-fluoro-3-methyl-N-pentan-3-ylbutan-1-amine?
The IUPAC name of ethane;N-ethyl-3-fluoro-3-methyl-N-pentan-3-ylbutan-1-amine (CID 176567703) is ethane;N-ethyl-3-fluoro-3-methyl-N-pentan-3-ylbutan-1-amine.
What is the SMILES notation for ethane;N-ethyl-3-fluoro-3-methyl-N-pentan-3-ylbutan-1-amine?
The canonical SMILES for ethane;N-ethyl-3-fluoro-3-methyl-N-pentan-3-ylbutan-1-amine is CC.CCC(CC)N(CC)CCC(C)(C)F.
What is the InChIKey of ethane;N-ethyl-3-fluoro-3-methyl-N-pentan-3-ylbutan-1-amine?
The InChIKey is IQNLRHGKJKAKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26FN.C2H6/c1-6-11(7-2)14(8-3)10-9-12(4,5)13;1-2/h11H,6-10H2,1-5H3;1-2H3.
What are the key properties of ethane;N-ethyl-3-fluoro-3-methyl-N-pentan-3-ylbutan-1-amine?
ethane;N-ethyl-3-fluoro-3-methyl-N-pentan-3-ylbutan-1-amine has a molecular weight of 233.41 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-3-fluoro-3-methyl-N-pentan-3-ylbutan-1-amine is sourced from PubChem (CID 176567703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).