N-(3,3-difluoropropyl)-N-methyl-6-pyrrolidin-1-ylhept-6-en-2-amine

C15H28F2N2 — CID 178108618

IUPACN-(3,3-difluoropropyl)-N-methyl-6-pyrrolidin-1-ylhept-6-en-2-amine
SMILESC=C(CCCC(C)N(C)CCC(F)F)N1CCCC1
InChIInChI=1S/C15H28F2N2/c1-13(18(3)12-9-15(16)17)7-6-8-14(2)19-10-4-5-11-19/h13,15H,2,4-12H2,1,3H3
InChIKeyYUYCIARIOPLXOL-UHFFFAOYSA-N
MW274.40 g/mol
LogP3.74
Rot. Bonds9

About N-(3,3-difluoropropyl)-N-methyl-6-pyrrolidin-1-ylhept-6-en-2-amine

N-(3,3-difluoropropyl)-N-methyl-6-pyrrolidin-1-ylhept-6-en-2-amine (PubChem CID 178108618) has the molecular formula C15H28F2N2 and a molecular weight of 274.40 g/mol. Its IUPAC name is N-(3,3-difluoropropyl)-N-methyl-6-pyrrolidin-1-ylhept-6-en-2-amine.

Molecular Properties

Compound NameN-(3,3-difluoropropyl)-N-methyl-6-pyrrolidin-1-ylhept-6-en-2-amine
PubChem CID178108618
Molecular FormulaC15H28F2N2
Molecular Weight274.40 g/mol
Exact Mass274.22
IUPAC NameN-(3,3-difluoropropyl)-N-methyl-6-pyrrolidin-1-ylhept-6-en-2-amine
SMILESC=C(CCCC(C)N(C)CCC(F)F)N1CCCC1
InChIInChI=1S/C15H28F2N2/c1-13(18(3)12-9-15(16)17)7-6-8-14(2)19-10-4-5-11-19/h13,15H,2,4-12H2,1,3H3
InChIKeyYUYCIARIOPLXOL-UHFFFAOYSA-N
XLogP3.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoropropyl)-N-methyl-6-pyrrolidin-1-ylhept-6-en-2-amine?
The IUPAC name of N-(3,3-difluoropropyl)-N-methyl-6-pyrrolidin-1-ylhept-6-en-2-amine (CID 178108618) is N-(3,3-difluoropropyl)-N-methyl-6-pyrrolidin-1-ylhept-6-en-2-amine.
What is the SMILES notation for N-(3,3-difluoropropyl)-N-methyl-6-pyrrolidin-1-ylhept-6-en-2-amine?
The canonical SMILES for N-(3,3-difluoropropyl)-N-methyl-6-pyrrolidin-1-ylhept-6-en-2-amine is C=C(CCCC(C)N(C)CCC(F)F)N1CCCC1.
What is the InChIKey of N-(3,3-difluoropropyl)-N-methyl-6-pyrrolidin-1-ylhept-6-en-2-amine?
The InChIKey is YUYCIARIOPLXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F2N2/c1-13(18(3)12-9-15(16)17)7-6-8-14(2)19-10-4-5-11-19/h13,15H,2,4-12H2,1,3H3.
What are the key properties of N-(3,3-difluoropropyl)-N-methyl-6-pyrrolidin-1-ylhept-6-en-2-amine?
N-(3,3-difluoropropyl)-N-methyl-6-pyrrolidin-1-ylhept-6-en-2-amine has a molecular weight of 274.40 g/mol, XLogP of 3.74, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoropropyl)-N-methyl-6-pyrrolidin-1-ylhept-6-en-2-amine is sourced from PubChem (CID 178108618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).