2-fluoro-N,N',N'-trimethylbutane-1,4-diamine

C7H17FN2 — CID 175905976

IUPAC2-fluoro-N,N',N'-trimethylbutane-1,4-diamine
SMILESCNCC(F)CCN(C)C
InChIInChI=1S/C7H17FN2/c1-9-6-7(8)4-5-10(2)3/h7,9H,4-6H2,1-3H3
InChIKeyGMQLAYULQBUOGQ-UHFFFAOYSA-N
MW148.22 g/mol
LogP0.50
Rot. Bonds5

About 2-fluoro-N,N',N'-trimethylbutane-1,4-diamine

2-fluoro-N,N',N'-trimethylbutane-1,4-diamine (PubChem CID 175905976) has the molecular formula C7H17FN2 and a molecular weight of 148.22 g/mol. Its IUPAC name is 2-fluoro-N,N',N'-trimethylbutane-1,4-diamine.

Molecular Properties

Compound Name2-fluoro-N,N',N'-trimethylbutane-1,4-diamine
PubChem CID175905976
Molecular FormulaC7H17FN2
Molecular Weight148.22 g/mol
Exact Mass148.14
IUPAC Name2-fluoro-N,N',N'-trimethylbutane-1,4-diamine
SMILESCNCC(F)CCN(C)C
InChIInChI=1S/C7H17FN2/c1-9-6-7(8)4-5-10(2)3/h7,9H,4-6H2,1-3H3
InChIKeyGMQLAYULQBUOGQ-UHFFFAOYSA-N
XLogP0.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.22
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluoro-N-methylbutan-1-amine
CID 147861140
(2S)-2-fluoro-N,5-dimethylhexan-1-amine
CID 129462625
3-fluoro-N,N-dimethylbutan-1-amine
CID 142449569
5-[2-(dimethylamino)ethyl]-N,N,N'-trimethyl-4-(methylaminomethyl)nonane-1,9-diamine
CID 90889104
ethane;N,N,3-trimethyl-4-(2-methylhydrazinyl)butan-1-amine
CID 172586990
N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]-2-methyl-3-(methylamino)propanamide
CID 119888442
CID 88826921
CID 88826921
CID 173338058
CID 173338058
2-N-butan-2-yl-1-N,2-N-dimethylpentane-1,2-diamine
CID 83043329
1-azaniumyl-3-(dimethylamino)propane-1-sulfonate
CID 141017852
5-(dimethylamino)-3-fluoropentan-2-one
CID 139565635
(3R)-5-(dimethylamino)-3-fluoropentan-2-one
CID 139565610

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,N',N'-trimethylbutane-1,4-diamine?
The IUPAC name of 2-fluoro-N,N',N'-trimethylbutane-1,4-diamine (CID 175905976) is 2-fluoro-N,N',N'-trimethylbutane-1,4-diamine.
What is the SMILES notation for 2-fluoro-N,N',N'-trimethylbutane-1,4-diamine?
The canonical SMILES for 2-fluoro-N,N',N'-trimethylbutane-1,4-diamine is CNCC(F)CCN(C)C.
What is the InChIKey of 2-fluoro-N,N',N'-trimethylbutane-1,4-diamine?
The InChIKey is GMQLAYULQBUOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17FN2/c1-9-6-7(8)4-5-10(2)3/h7,9H,4-6H2,1-3H3.
What are the key properties of 2-fluoro-N,N',N'-trimethylbutane-1,4-diamine?
2-fluoro-N,N',N'-trimethylbutane-1,4-diamine has a molecular weight of 148.22 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,N',N'-trimethylbutane-1,4-diamine is sourced from PubChem (CID 175905976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).