ethane;N-ethenyl-3-fluoro-N-methylbutan-1-amine;methanamine

C10H25FN2 — CID 142562580

IUPACethane;N-ethenyl-3-fluoro-N-methylbutan-1-amine;methanamine
SMILESC=CN(C)CCC(C)F.CC.CN
InChIInChI=1S/C7H14FN.C2H6.CH5N/c1-4-9(3)6-5-7(2)8;2*1-2/h4,7H,1,5-6H2,2-3H3;1-2H3;2H2,1H3
InChIKeyHQBYBURTXWJWQT-UHFFFAOYSA-N
MW192.32 g/mol
LogP2.41
Rot. Bonds4

About ethane;N-ethenyl-3-fluoro-N-methylbutan-1-amine;methanamine

ethane;N-ethenyl-3-fluoro-N-methylbutan-1-amine;methanamine (PubChem CID 142562580) has the molecular formula C10H25FN2 and a molecular weight of 192.32 g/mol. Its IUPAC name is ethane;N-ethenyl-3-fluoro-N-methylbutan-1-amine;methanamine.

Molecular Properties

Compound Nameethane;N-ethenyl-3-fluoro-N-methylbutan-1-amine;methanamine
PubChem CID142562580
Molecular FormulaC10H25FN2
Molecular Weight192.32 g/mol
Exact Mass192.20
IUPAC Nameethane;N-ethenyl-3-fluoro-N-methylbutan-1-amine;methanamine
SMILESC=CN(C)CCC(C)F.CC.CN
InChIInChI=1S/C7H14FN.C2H6.CH5N/c1-4-9(3)6-5-7(2)8;2*1-2/h4,7H,1,5-6H2,2-3H3;1-2H3;2H2,1H3
InChIKeyHQBYBURTXWJWQT-UHFFFAOYSA-N
XLogP2.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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ethane;N-ethenyl-N-methylethanamine
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CID 176703303
ethane;methanamine;N,N,3-trimethylbutan-1-amine
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N-(3-aminobutyl)-N-methylformamide
CID 90741055
N-[(3R)-5-amino-3-methylpentyl]-N-methylformamide;ethane
CID 145154222
N-(difluoromethyl)-N-methylethenamine
CID 162573446
ethane;N-ethenyl-N-methylpropan-2-amine
CID 145207975
N-ethenyl-N,3,3-trimethylpentan-1-amine
CID 167016680
N,N-dibenzyl-3-fluorobutan-1-amine
CID 146026294

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethenyl-3-fluoro-N-methylbutan-1-amine;methanamine?
The IUPAC name of ethane;N-ethenyl-3-fluoro-N-methylbutan-1-amine;methanamine (CID 142562580) is ethane;N-ethenyl-3-fluoro-N-methylbutan-1-amine;methanamine.
What is the SMILES notation for ethane;N-ethenyl-3-fluoro-N-methylbutan-1-amine;methanamine?
The canonical SMILES for ethane;N-ethenyl-3-fluoro-N-methylbutan-1-amine;methanamine is C=CN(C)CCC(C)F.CC.CN.
What is the InChIKey of ethane;N-ethenyl-3-fluoro-N-methylbutan-1-amine;methanamine?
The InChIKey is HQBYBURTXWJWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN.C2H6.CH5N/c1-4-9(3)6-5-7(2)8;2*1-2/h4,7H,1,5-6H2,2-3H3;1-2H3;2H2,1H3.
What are the key properties of ethane;N-ethenyl-3-fluoro-N-methylbutan-1-amine;methanamine?
ethane;N-ethenyl-3-fluoro-N-methylbutan-1-amine;methanamine has a molecular weight of 192.32 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethenyl-3-fluoro-N-methylbutan-1-amine;methanamine is sourced from PubChem (CID 142562580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).