ethane;N-fluoro-N-methylethanamine;N-methylpropan-1-amine

C9H25FN2 — CID 176946215

IUPACethane;N-fluoro-N-methylethanamine;N-methylpropan-1-amine
SMILESCC.CCCNC.CCN(C)F
InChIInChI=1S/C4H11N.C3H8FN.C2H6/c1-3-4-5-2;1-3-5(2)4;1-2/h5H,3-4H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyWOWWSVRXQLQISW-UHFFFAOYSA-N
MW180.31 g/mol
LogP2.46
Rot. Bonds3

About ethane;N-fluoro-N-methylethanamine;N-methylpropan-1-amine

ethane;N-fluoro-N-methylethanamine;N-methylpropan-1-amine (PubChem CID 176946215) has the molecular formula C9H25FN2 and a molecular weight of 180.31 g/mol. Its IUPAC name is ethane;N-fluoro-N-methylethanamine;N-methylpropan-1-amine.

Molecular Properties

Compound Nameethane;N-fluoro-N-methylethanamine;N-methylpropan-1-amine
PubChem CID176946215
Molecular FormulaC9H25FN2
Molecular Weight180.31 g/mol
Exact Mass180.20
IUPAC Nameethane;N-fluoro-N-methylethanamine;N-methylpropan-1-amine
SMILESCC.CCCNC.CCN(C)F
InChIInChI=1S/C4H11N.C3H8FN.C2H6/c1-3-4-5-2;1-3-5(2)4;1-2/h5H,3-4H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyWOWWSVRXQLQISW-UHFFFAOYSA-N
XLogP2.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

fluoroethane;N-methylpropan-1-amine
CID 142447167
2-[carboxymethyl(ethyl)amino]acetic acid;N-methylpropan-1-amine
CID 142211328
ethene;N-methylethanamine;N-methylpropan-1-amine
CID 143374724
ethane;N'-ethyl-N,N'-dimethylethane-1,2-diamine
CID 142870975
N'-ethyl-N-methyl-N'-propylethane-1,2-diamine
CID 21015837
N',N'-diethyl-N-methylethane-1,2-diamine;ethane
CID 142004273
ethane;N'-ethyl-N,N'-dimethylethane-1,2-diamine;methanol
CID 144534922
ethane;propane;N,N',N'-trimethylethane-1,2-diamine
CID 143559684
N-methylpropan-1-amine;sulfuric acid
CID 159819552
N,N'-dimethylethane-1,2-diamine;ethane
CID 90689080
N,N-dimethylmethanamine;methyl hydrogen sulfate;N-methylpropan-1-amine
CID 174472980
N'-fluoro-N-methyl-N'-pentan-2-ylmethanediamine
CID 167503143

Frequently Asked Questions

What is the IUPAC name of ethane;N-fluoro-N-methylethanamine;N-methylpropan-1-amine?
The IUPAC name of ethane;N-fluoro-N-methylethanamine;N-methylpropan-1-amine (CID 176946215) is ethane;N-fluoro-N-methylethanamine;N-methylpropan-1-amine.
What is the SMILES notation for ethane;N-fluoro-N-methylethanamine;N-methylpropan-1-amine?
The canonical SMILES for ethane;N-fluoro-N-methylethanamine;N-methylpropan-1-amine is CC.CCCNC.CCN(C)F.
What is the InChIKey of ethane;N-fluoro-N-methylethanamine;N-methylpropan-1-amine?
The InChIKey is WOWWSVRXQLQISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.C3H8FN.C2H6/c1-3-4-5-2;1-3-5(2)4;1-2/h5H,3-4H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;N-fluoro-N-methylethanamine;N-methylpropan-1-amine?
ethane;N-fluoro-N-methylethanamine;N-methylpropan-1-amine has a molecular weight of 180.31 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-fluoro-N-methylethanamine;N-methylpropan-1-amine is sourced from PubChem (CID 176946215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).