3-ethyl-3-fluoro-N,N,4-trimethylpentan-1-amine

C10H22FN — CID 163258441

IUPAC3-ethyl-3-fluoro-N,N,4-trimethylpentan-1-amine
SMILESCCC(F)(CCN(C)C)C(C)C
InChIInChI=1S/C10H22FN/c1-6-10(11,9(2)3)7-8-12(4)5/h9H,6-8H2,1-5H3
InChIKeyVABLCBXYLHDYFS-UHFFFAOYSA-N
MW175.29 g/mol
LogP2.71
Rot. Bonds5

About 3-ethyl-3-fluoro-N,N,4-trimethylpentan-1-amine

3-ethyl-3-fluoro-N,N,4-trimethylpentan-1-amine (PubChem CID 163258441) has the molecular formula C10H22FN and a molecular weight of 175.29 g/mol. Its IUPAC name is 3-ethyl-3-fluoro-N,N,4-trimethylpentan-1-amine.

Molecular Properties

Compound Name3-ethyl-3-fluoro-N,N,4-trimethylpentan-1-amine
PubChem CID163258441
Molecular FormulaC10H22FN
Molecular Weight175.29 g/mol
Exact Mass175.17
IUPAC Name3-ethyl-3-fluoro-N,N,4-trimethylpentan-1-amine
SMILESCCC(F)(CCN(C)C)C(C)C
InChIInChI=1S/C10H22FN/c1-6-10(11,9(2)3)7-8-12(4)5/h9H,6-8H2,1-5H3
InChIKeyVABLCBXYLHDYFS-UHFFFAOYSA-N
XLogP2.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.29
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-2-fluoro-3-methylbutan-1-amine
CID 112565881
1-N,1-N,3,4-tetramethylpentane-1,3-diamine
CID 57171035
3,3-difluoro-N,N,4,4-tetramethylpentan-1-amine
CID 164750438
3,3-difluoro-N,N-dimethylbutan-1-amine;ethane;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine
CID 172563999
4,4-difluoro-N,N,3,3-tetramethylbutan-1-amine
CID 170950191
N,N,N',N',3,3-hexamethylpentane-1,5-diamine
CID 143746016
3-[2-(dimethylamino)ethyl]-N,N,N',N',3-pentamethylpentane-1,5-diamine
CID 89049269
(3S)-3-fluoro-2,3-dimethylhexane
CID 169026252
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-N,N-dimethyldecan-1-amine
CID 10051282
1-(dimethylamino)-5,5-difluoroheptan-4-one
CID 158665123
ethane;4,4,4-trifluoro-N,N-dimethylbutan-1-amine
CID 166092761
N-(1-chloropropan-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 104555151

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-fluoro-N,N,4-trimethylpentan-1-amine?
The IUPAC name of 3-ethyl-3-fluoro-N,N,4-trimethylpentan-1-amine (CID 163258441) is 3-ethyl-3-fluoro-N,N,4-trimethylpentan-1-amine.
What is the SMILES notation for 3-ethyl-3-fluoro-N,N,4-trimethylpentan-1-amine?
The canonical SMILES for 3-ethyl-3-fluoro-N,N,4-trimethylpentan-1-amine is CCC(F)(CCN(C)C)C(C)C.
What is the InChIKey of 3-ethyl-3-fluoro-N,N,4-trimethylpentan-1-amine?
The InChIKey is VABLCBXYLHDYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FN/c1-6-10(11,9(2)3)7-8-12(4)5/h9H,6-8H2,1-5H3.
What are the key properties of 3-ethyl-3-fluoro-N,N,4-trimethylpentan-1-amine?
3-ethyl-3-fluoro-N,N,4-trimethylpentan-1-amine has a molecular weight of 175.29 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-fluoro-N,N,4-trimethylpentan-1-amine is sourced from PubChem (CID 163258441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).