ethane;3-fluoro-N-methyl-N-propylpropan-1-amine

C9H22FN — CID 142123052

IUPACethane;3-fluoro-N-methyl-N-propylpropan-1-amine
SMILESCC.CCCN(C)CCCF
InChIInChI=1S/C7H16FN.C2H6/c1-3-6-9(2)7-4-5-8;1-2/h3-7H2,1-2H3;1-2H3
InChIKeyFBQAHVLJQUCBAV-UHFFFAOYSA-N
MW163.28 g/mol
LogP2.71
Rot. Bonds5

About ethane;3-fluoro-N-methyl-N-propylpropan-1-amine

ethane;3-fluoro-N-methyl-N-propylpropan-1-amine (PubChem CID 142123052) has the molecular formula C9H22FN and a molecular weight of 163.28 g/mol. Its IUPAC name is ethane;3-fluoro-N-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Nameethane;3-fluoro-N-methyl-N-propylpropan-1-amine
PubChem CID142123052
Molecular FormulaC9H22FN
Molecular Weight163.28 g/mol
Exact Mass163.17
IUPAC Nameethane;3-fluoro-N-methyl-N-propylpropan-1-amine
SMILESCC.CCCN(C)CCCF
InChIInChI=1S/C7H16FN.C2H6/c1-3-6-9(2)7-4-5-8;1-2/h3-7H2,1-2H3;1-2H3
InChIKeyFBQAHVLJQUCBAV-UHFFFAOYSA-N
XLogP2.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.28
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-N,N-dipropylpropan-1-amine
CID 87847848
N'-(3-fluoropropyl)-N'-methylethane-1,2-diamine
CID 81106784
3-[3-fluoropropyl(methyl)amino]propan-1-ol
CID 126974826
2-[3-fluoropropyl(methyl)amino]ethanethiol
CID 58986379
N,N'-dimethyl-N'-[2-[methyl(propyl)amino]ethyl]-N-propylethane-1,2-diamine
CID 162082787
N,N,N'-trimethyl-N'-[3-[methyl(propyl)amino]propyl]propane-1,3-diamine
CID 20621536
N-methyl-N-propyldecan-1-amine
CID 13122225
ethane;N'-methyl-N'-propylethane-1,2-diamine
CID 164863386
N-(3-fluoropropyl)-N,3-dimethylbutan-1-amine
CID 142351395
N-(fluoromethyl)-N-methylbutan-1-amine
CID 126636484
2-[3-fluoropropyl(propyl)amino]ethanol
CID 81113201
2-(dimethylamino)ethanol;ethane;4-[methyl(propyl)amino]butan-1-ol
CID 171562694

Frequently Asked Questions

What is the IUPAC name of ethane;3-fluoro-N-methyl-N-propylpropan-1-amine?
The IUPAC name of ethane;3-fluoro-N-methyl-N-propylpropan-1-amine (CID 142123052) is ethane;3-fluoro-N-methyl-N-propylpropan-1-amine.
What is the SMILES notation for ethane;3-fluoro-N-methyl-N-propylpropan-1-amine?
The canonical SMILES for ethane;3-fluoro-N-methyl-N-propylpropan-1-amine is CC.CCCN(C)CCCF.
What is the InChIKey of ethane;3-fluoro-N-methyl-N-propylpropan-1-amine?
The InChIKey is FBQAHVLJQUCBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FN.C2H6/c1-3-6-9(2)7-4-5-8;1-2/h3-7H2,1-2H3;1-2H3.
What are the key properties of ethane;3-fluoro-N-methyl-N-propylpropan-1-amine?
ethane;3-fluoro-N-methyl-N-propylpropan-1-amine has a molecular weight of 163.28 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 ethane;3-fluoro-N-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 142123052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).