N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]nonan-2-amine

C16H31F3N2 — CID 60856481

IUPACN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]nonan-2-amine
SMILESCCCCCCCC(C)NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C16H31F3N2/c1-3-4-5-6-7-8-14(2)20-11-15-9-10-21(12-15)13-16(17,18)19/h14-15,20H,3-13H2,1-2H3
InChIKeyMBMMWUBIYXIZEA-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.21
Rot. Bonds10

About N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]nonan-2-amine

N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]nonan-2-amine (PubChem CID 60856481) has the molecular formula C16H31F3N2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]nonan-2-amine.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]nonan-2-amine
PubChem CID60856481
Molecular FormulaC16H31F3N2
Molecular Weight308.43 g/mol
Exact Mass308.24
IUPAC NameN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]nonan-2-amine
SMILESCCCCCCCC(C)NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C16H31F3N2/c1-3-4-5-6-7-8-14(2)20-11-15-9-10-21(12-15)13-16(17,18)19/h14-15,20H,3-13H2,1-2H3
InChIKeyMBMMWUBIYXIZEA-UHFFFAOYSA-N
XLogP4.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]piperidin-4-amine
CID 171359672
3,3,3-Trifluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine
CID 20763674
2,2,2-trifluoro-N-methyl-N-(2-pyrrolidin-2-ylethyl)ethanamine
CID 61364891
2,2-difluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 61893828
4-(3,3-Difluoropyrrolidin-1-yl)-3-methylbutan-2-amine
CID 67811725
8-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)nonan-1-amine
CID 91539789
[1-(1,1,1-Trifluoro-3-methylbutan-2-yl)pyrrolidin-3-yl]methanamine
CID 117706289
1-(3-methylheptan-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 123168308
N-methyl-3-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-amine
CID 126605168
2-[(2R)-4,4-difluoropyrrolidin-2-yl]-N,N-dimethylethanamine
CID 130405639
2-(4,4-difluoropyrrolidin-2-yl)-N,N-dimethylethanamine
CID 130405640
(5S)-5-butan-2-yl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 139299048

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]nonan-2-amine?
The IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]nonan-2-amine (CID 60856481) is N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]nonan-2-amine.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]nonan-2-amine?
The canonical SMILES for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]nonan-2-amine is CCCCCCCC(C)NCC1CCN(CC(F)(F)F)C1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]nonan-2-amine?
The InChIKey is MBMMWUBIYXIZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31F3N2/c1-3-4-5-6-7-8-14(2)20-11-15-9-10-21(12-15)13-16(17,18)19/h14-15,20H,3-13H2,1-2H3.
What are the key properties of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]nonan-2-amine?
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]nonan-2-amine has a molecular weight of 308.43 g/mol, XLogP of 4.21, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]nonan-2-amine is sourced from PubChem (CID 60856481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).