ethane;N-(3-fluorobutyl)-N-methyl-1-propan-2-ylazetidin-3-amine

C13H29FN2 — CID 176703303

IUPACethane;N-(3-fluorobutyl)-N-methyl-1-propan-2-ylazetidin-3-amine
SMILESCC.CC(F)CCN(C)C1CN(C(C)C)C1
InChIInChI=1S/C11H23FN2.C2H6/c1-9(2)14-7-11(8-14)13(4)6-5-10(3)12;1-2/h9-11H,5-8H2,1-4H3;1-2H3
InChIKeyIKVAKFJGJPILPV-UHFFFAOYSA-N
MW232.39 g/mol
LogP2.79
Rot. Bonds5

About ethane;N-(3-fluorobutyl)-N-methyl-1-propan-2-ylazetidin-3-amine

ethane;N-(3-fluorobutyl)-N-methyl-1-propan-2-ylazetidin-3-amine (PubChem CID 176703303) has the molecular formula C13H29FN2 and a molecular weight of 232.39 g/mol. Its IUPAC name is ethane;N-(3-fluorobutyl)-N-methyl-1-propan-2-ylazetidin-3-amine.

Molecular Properties

Compound Nameethane;N-(3-fluorobutyl)-N-methyl-1-propan-2-ylazetidin-3-amine
PubChem CID176703303
Molecular FormulaC13H29FN2
Molecular Weight232.39 g/mol
Exact Mass232.23
IUPAC Nameethane;N-(3-fluorobutyl)-N-methyl-1-propan-2-ylazetidin-3-amine
SMILESCC.CC(F)CCN(C)C1CN(C(C)C)C1
InChIInChI=1S/C11H23FN2.C2H6/c1-9(2)14-7-11(8-14)13(4)6-5-10(3)12;1-2/h9-11H,5-8H2,1-4H3;1-2H3
InChIKeyIKVAKFJGJPILPV-UHFFFAOYSA-N
XLogP2.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(3-fluorobutyl)-N-methyl-1-propan-2-ylazetidin-3-amine?
The IUPAC name of ethane;N-(3-fluorobutyl)-N-methyl-1-propan-2-ylazetidin-3-amine (CID 176703303) is ethane;N-(3-fluorobutyl)-N-methyl-1-propan-2-ylazetidin-3-amine.
What is the SMILES notation for ethane;N-(3-fluorobutyl)-N-methyl-1-propan-2-ylazetidin-3-amine?
The canonical SMILES for ethane;N-(3-fluorobutyl)-N-methyl-1-propan-2-ylazetidin-3-amine is CC.CC(F)CCN(C)C1CN(C(C)C)C1.
What is the InChIKey of ethane;N-(3-fluorobutyl)-N-methyl-1-propan-2-ylazetidin-3-amine?
The InChIKey is IKVAKFJGJPILPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FN2.C2H6/c1-9(2)14-7-11(8-14)13(4)6-5-10(3)12;1-2/h9-11H,5-8H2,1-4H3;1-2H3.
What are the key properties of ethane;N-(3-fluorobutyl)-N-methyl-1-propan-2-ylazetidin-3-amine?
ethane;N-(3-fluorobutyl)-N-methyl-1-propan-2-ylazetidin-3-amine has a molecular weight of 232.39 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(3-fluorobutyl)-N-methyl-1-propan-2-ylazetidin-3-amine is sourced from PubChem (CID 176703303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).