N-[[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine

C15H29F3N2 — CID 62257260

IUPACN-[[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1(CN(CCC)CC(F)(F)F)CCCC1
InChIInChI=1S/C15H29F3N2/c1-3-9-19-11-14(7-5-6-8-14)12-20(10-4-2)13-15(16,17)18/h19H,3-13H2,1-2H3
InChIKeyZPYLNEBBLAGPFJ-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.82
Rot. Bonds9

About N-[[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine

N-[[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine (PubChem CID 62257260) has the molecular formula C15H29F3N2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
PubChem CID62257260
Molecular FormulaC15H29F3N2
Molecular Weight294.40 g/mol
Exact Mass294.23
IUPAC NameN-[[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1(CN(CCC)CC(F)(F)F)CCCC1
InChIInChI=1S/C15H29F3N2/c1-3-9-19-11-14(7-5-6-8-14)12-20(10-4-2)13-15(16,17)18/h19H,3-13H2,1-2H3
InChIKeyZPYLNEBBLAGPFJ-UHFFFAOYSA-N
XLogP3.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.82
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

3-(2-Methylpropyl)-3-(trifluoromethyl)pyrrolidine
CID 83685670
3-(1,1-Difluoropropyl)-3-ethylpyrrolidine
CID 88977973
N-[3,3,5,6,6,6-hexafluoro-5-(trifluoromethyl)hexyl]-N',N'-dimethylpropane-1,3-diamine
CID 89189108
N',N'-dimethyl-N-[5,6,6,6-tetrafluoro-3,5-bis(trifluoromethyl)hexyl]propane-1,3-diamine
CID 89380839
5,5-dimethyl-N-(2,2,2-trifluoroethyl)hexan-1-amine
CID 117944153
N-methyl-1-(1-(trifluoromethyl)cyclopentyl)methanamine
CID 121208298
N-(2,2-difluoroethyl)-4,4-dimethylhexan-1-amine
CID 129033935
4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexan-1-amine
CID 129033941
(5S)-6,6-difluoro-2-methyl-2,9-diazaspiro[4.5]decane
CID 129230060
6,6-Difluoro-2-methyl-2,9-diazaspiro[4.5]decane
CID 129230219
(5R)-6,6-difluoro-2-methyl-2,9-diazaspiro[4.5]decane
CID 129230744
(5S)-2-ethyl-6,6-difluoro-2,9-diazaspiro[4.5]decane
CID 129237633

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine (CID 62257260) is N-[[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine is CCCNCC1(CN(CCC)CC(F)(F)F)CCCC1.
What is the InChIKey of N-[[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine?
The InChIKey is ZPYLNEBBLAGPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N2/c1-3-9-19-11-14(7-5-6-8-14)12-20(10-4-2)13-15(16,17)18/h19H,3-13H2,1-2H3.
What are the key properties of N-[[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine?
N-[[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine has a molecular weight of 294.40 g/mol, XLogP of 3.82, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine is sourced from PubChem (CID 62257260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).