1-(3-methylheptan-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine

C14H27F3N2 — CID 123168308

IUPAC1-(3-methylheptan-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
SMILESCCCC(C(C)CC)N1CCC(NCC(F)(F)F)C1
InChIInChI=1S/C14H27F3N2/c1-4-6-13(11(3)5-2)19-8-7-12(9-19)18-10-14(15,16)17/h11-13,18H,4-10H2,1-3H3
InChIKeyHGPYIOOHFIMKJH-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.43
Rot. Bonds7

About 1-(3-methylheptan-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine

1-(3-methylheptan-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine (PubChem CID 123168308) has the molecular formula C14H27F3N2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 1-(3-methylheptan-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(3-methylheptan-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
PubChem CID123168308
Molecular FormulaC14H27F3N2
Molecular Weight280.38 g/mol
Exact Mass280.21
IUPAC Name1-(3-methylheptan-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
SMILESCCCC(C(C)CC)N1CCC(NCC(F)(F)F)C1
InChIInChI=1S/C14H27F3N2/c1-4-6-13(11(3)5-2)19-8-7-12(9-19)18-10-14(15,16)17/h11-13,18H,4-10H2,1-3H3
InChIKeyHGPYIOOHFIMKJH-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylheptan-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The IUPAC name of 1-(3-methylheptan-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine (CID 123168308) is 1-(3-methylheptan-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(3-methylheptan-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The canonical SMILES for 1-(3-methylheptan-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine is CCCC(C(C)CC)N1CCC(NCC(F)(F)F)C1.
What is the InChIKey of 1-(3-methylheptan-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The InChIKey is HGPYIOOHFIMKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2/c1-4-6-13(11(3)5-2)19-8-7-12(9-19)18-10-14(15,16)17/h11-13,18H,4-10H2,1-3H3.
What are the key properties of 1-(3-methylheptan-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
1-(3-methylheptan-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine has a molecular weight of 280.38 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylheptan-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine is sourced from PubChem (CID 123168308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).