ethane;N-[1-(fluoromethyl)cyclopropyl]-1-methylpyrrolidin-3-amine

C11H23FN2 — CID 167501312

IUPACethane;N-[1-(fluoromethyl)cyclopropyl]-1-methylpyrrolidin-3-amine
SMILESCC.CN1CCC(NC2(CF)CC2)C1
InChIInChI=1S/C9H17FN2.C2H6/c1-12-5-2-8(6-12)11-9(7-10)3-4-9;1-2/h8,11H,2-7H2,1H3;1-2H3
InChIKeyFTJAIYBWYOCTCH-UHFFFAOYSA-N
MW202.32 g/mol
LogP1.81
Rot. Bonds3

About ethane;N-[1-(fluoromethyl)cyclopropyl]-1-methylpyrrolidin-3-amine

ethane;N-[1-(fluoromethyl)cyclopropyl]-1-methylpyrrolidin-3-amine (PubChem CID 167501312) has the molecular formula C11H23FN2 and a molecular weight of 202.32 g/mol. Its IUPAC name is ethane;N-[1-(fluoromethyl)cyclopropyl]-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound Nameethane;N-[1-(fluoromethyl)cyclopropyl]-1-methylpyrrolidin-3-amine
PubChem CID167501312
Molecular FormulaC11H23FN2
Molecular Weight202.32 g/mol
Exact Mass202.18
IUPAC Nameethane;N-[1-(fluoromethyl)cyclopropyl]-1-methylpyrrolidin-3-amine
SMILESCC.CN1CCC(NC2(CF)CC2)C1
InChIInChI=1S/C9H17FN2.C2H6/c1-12-5-2-8(6-12)11-9(7-10)3-4-9;1-2/h8,11H,2-7H2,1H3;1-2H3
InChIKeyFTJAIYBWYOCTCH-UHFFFAOYSA-N
XLogP1.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(fluoromethyl)cyclopropyl]methyl]-1-methylpyrrolidin-3-amine
CID 167504083
ethane;N-ethyl-1-methylpyrrolidin-3-amine
CID 145338055
(3R)-1-methyl-N-(4-methyloxan-4-yl)pyrrolidin-3-amine
CID 167503529
(3R)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 162433689
[(1-methylpyrrolidin-3-yl)amino]methanethiol
CID 115227697
N-tert-butyl-1-methylpyrrolidin-3-amine;ethane
CID 167501392
N-[(3-fluoropiperidin-3-yl)methyl]-1-methylpyrrolidin-3-amine
CID 105469159
1-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]pyrrolidin-3-amine
CID 115244573
N-[(2,2-difluorocyclopropyl)methyl]-1-methylpiperidin-4-amine
CID 177148476
N-(1-methylpyrrolidin-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 115206314
(3R)-1-methyl-N-propylpyrrolidin-3-amine
CID 93285609
ethane;methoxymethane;N-(1-methylpyrrolidin-3-yl)acetamide
CID 169257856

Frequently Asked Questions

What is the IUPAC name of ethane;N-[1-(fluoromethyl)cyclopropyl]-1-methylpyrrolidin-3-amine?
The IUPAC name of ethane;N-[1-(fluoromethyl)cyclopropyl]-1-methylpyrrolidin-3-amine (CID 167501312) is ethane;N-[1-(fluoromethyl)cyclopropyl]-1-methylpyrrolidin-3-amine.
What is the SMILES notation for ethane;N-[1-(fluoromethyl)cyclopropyl]-1-methylpyrrolidin-3-amine?
The canonical SMILES for ethane;N-[1-(fluoromethyl)cyclopropyl]-1-methylpyrrolidin-3-amine is CC.CN1CCC(NC2(CF)CC2)C1.
What is the InChIKey of ethane;N-[1-(fluoromethyl)cyclopropyl]-1-methylpyrrolidin-3-amine?
The InChIKey is FTJAIYBWYOCTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2.C2H6/c1-12-5-2-8(6-12)11-9(7-10)3-4-9;1-2/h8,11H,2-7H2,1H3;1-2H3.
What are the key properties of ethane;N-[1-(fluoromethyl)cyclopropyl]-1-methylpyrrolidin-3-amine?
ethane;N-[1-(fluoromethyl)cyclopropyl]-1-methylpyrrolidin-3-amine has a molecular weight of 202.32 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[1-(fluoromethyl)cyclopropyl]-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 167501312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).