2-[1-(4,4-dimethylpent-1-en-2-yl)-4,4-difluoropyrrolidin-2-yl]-N-methylethanamine

C14H26F2N2 — CID 167149759

IUPAC2-[1-(4,4-dimethylpent-1-en-2-yl)-4,4-difluoropyrrolidin-2-yl]-N-methylethanamine
SMILESC=C(CC(C)(C)C)N1CC(F)(F)CC1CCNC
InChIInChI=1S/C14H26F2N2/c1-11(8-13(2,3)4)18-10-14(15,16)9-12(18)6-7-17-5/h12,17H,1,6-10H2,2-5H3
InChIKeyYQPOHQKQMCVJHQ-UHFFFAOYSA-N
MW260.37 g/mol
LogP3.26
Rot. Bonds5

About 2-[1-(4,4-dimethylpent-1-en-2-yl)-4,4-difluoropyrrolidin-2-yl]-N-methylethanamine

2-[1-(4,4-dimethylpent-1-en-2-yl)-4,4-difluoropyrrolidin-2-yl]-N-methylethanamine (PubChem CID 167149759) has the molecular formula C14H26F2N2 and a molecular weight of 260.37 g/mol. Its IUPAC name is 2-[1-(4,4-dimethylpent-1-en-2-yl)-4,4-difluoropyrrolidin-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-(4,4-dimethylpent-1-en-2-yl)-4,4-difluoropyrrolidin-2-yl]-N-methylethanamine
PubChem CID167149759
Molecular FormulaC14H26F2N2
Molecular Weight260.37 g/mol
Exact Mass260.21
IUPAC Name2-[1-(4,4-dimethylpent-1-en-2-yl)-4,4-difluoropyrrolidin-2-yl]-N-methylethanamine
SMILESC=C(CC(C)(C)C)N1CC(F)(F)CC1CCNC
InChIInChI=1S/C14H26F2N2/c1-11(8-13(2,3)4)18-10-14(15,16)9-12(18)6-7-17-5/h12,17H,1,6-10H2,2-5H3
InChIKeyYQPOHQKQMCVJHQ-UHFFFAOYSA-N
XLogP3.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,4-dimethylpent-1-en-2-yl)-4,4-difluoropyrrolidin-2-yl]-N-methylethanamine?
The IUPAC name of 2-[1-(4,4-dimethylpent-1-en-2-yl)-4,4-difluoropyrrolidin-2-yl]-N-methylethanamine (CID 167149759) is 2-[1-(4,4-dimethylpent-1-en-2-yl)-4,4-difluoropyrrolidin-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[1-(4,4-dimethylpent-1-en-2-yl)-4,4-difluoropyrrolidin-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[1-(4,4-dimethylpent-1-en-2-yl)-4,4-difluoropyrrolidin-2-yl]-N-methylethanamine is C=C(CC(C)(C)C)N1CC(F)(F)CC1CCNC.
What is the InChIKey of 2-[1-(4,4-dimethylpent-1-en-2-yl)-4,4-difluoropyrrolidin-2-yl]-N-methylethanamine?
The InChIKey is YQPOHQKQMCVJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2N2/c1-11(8-13(2,3)4)18-10-14(15,16)9-12(18)6-7-17-5/h12,17H,1,6-10H2,2-5H3.
What are the key properties of 2-[1-(4,4-dimethylpent-1-en-2-yl)-4,4-difluoropyrrolidin-2-yl]-N-methylethanamine?
2-[1-(4,4-dimethylpent-1-en-2-yl)-4,4-difluoropyrrolidin-2-yl]-N-methylethanamine has a molecular weight of 260.37 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,4-dimethylpent-1-en-2-yl)-4,4-difluoropyrrolidin-2-yl]-N-methylethanamine is sourced from PubChem (CID 167149759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).