N'-cyclopentyl-N'-propan-2-yl-N-[2-(trifluoromethoxy)ethyl]ethane-1,2-diamine

C13H25F3N2O — CID 176601790

IUPACN'-cyclopentyl-N'-propan-2-yl-N-[2-(trifluoromethoxy)ethyl]ethane-1,2-diamine
SMILESCC(C)N(CCNCCOC(F)(F)F)C1CCCC1
InChIInChI=1S/C13H25F3N2O/c1-11(2)18(12-5-3-4-6-12)9-7-17-8-10-19-13(14,15)16/h11-12,17H,3-10H2,1-2H3
InChIKeyWLNBDFCXZXTIQS-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.77
Rot. Bonds8

About N'-cyclopentyl-N'-propan-2-yl-N-[2-(trifluoromethoxy)ethyl]ethane-1,2-diamine

N'-cyclopentyl-N'-propan-2-yl-N-[2-(trifluoromethoxy)ethyl]ethane-1,2-diamine (PubChem CID 176601790) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is N'-cyclopentyl-N'-propan-2-yl-N-[2-(trifluoromethoxy)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N'-propan-2-yl-N-[2-(trifluoromethoxy)ethyl]ethane-1,2-diamine
PubChem CID176601790
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC NameN'-cyclopentyl-N'-propan-2-yl-N-[2-(trifluoromethoxy)ethyl]ethane-1,2-diamine
SMILESCC(C)N(CCNCCOC(F)(F)F)C1CCCC1
InChIInChI=1S/C13H25F3N2O/c1-11(2)18(12-5-3-4-6-12)9-7-17-8-10-19-13(14,15)16/h11-12,17H,3-10H2,1-2H3
InChIKeyWLNBDFCXZXTIQS-UHFFFAOYSA-N
XLogP2.77
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-Methoxyethyl)(methyl)((pyrrolidin-2-yl)methyl)amine
CID 50989303
N'-methyl-N-propyl-N'-[2-(trifluoromethoxy)ethyl]ethane-1,2-diamine
CID 65804100
N'-methyl-N-propan-2-yl-N'-[2-(trifluoromethoxy)ethyl]ethane-1,2-diamine
CID 65805213
N'-methyl-N'-propan-2-yl-N-[2-(trifluoromethoxy)ethyl]ethane-1,2-diamine
CID 65805830
N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethoxy)ethanamine
CID 106614013
5-fluoro-1-(2-methoxyethyl)-N-propan-2-ylpiperidin-3-amine
CID 167492751
ethane;formamide;N-methyl-N-[(5-methylpyrrolidin-2-yl)methyl]-2-(trifluoromethoxy)ethanamine
CID 168883599
(3R)-1-[2-(difluoromethoxy)ethyl]piperidin-3-amine
CID 169153936
2-(3-fluoropyrrolidin-2-yl)-N-methyl-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 172334271
N-[(3-fluoropyrrolidin-2-yl)methyl]-N-methyloxetan-3-amine
CID 172334274
N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]-2-(trifluoromethoxy)ethanamine
CID 172334325
N-butyl-N'-[2-(trifluoromethoxy)ethyl]ethane-1,2-diamine;ethane
CID 172334328

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N'-propan-2-yl-N-[2-(trifluoromethoxy)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N'-propan-2-yl-N-[2-(trifluoromethoxy)ethyl]ethane-1,2-diamine (CID 176601790) is N'-cyclopentyl-N'-propan-2-yl-N-[2-(trifluoromethoxy)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N'-propan-2-yl-N-[2-(trifluoromethoxy)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N'-propan-2-yl-N-[2-(trifluoromethoxy)ethyl]ethane-1,2-diamine is CC(C)N(CCNCCOC(F)(F)F)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N'-propan-2-yl-N-[2-(trifluoromethoxy)ethyl]ethane-1,2-diamine?
The InChIKey is WLNBDFCXZXTIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-11(2)18(12-5-3-4-6-12)9-7-17-8-10-19-13(14,15)16/h11-12,17H,3-10H2,1-2H3.
What are the key properties of N'-cyclopentyl-N'-propan-2-yl-N-[2-(trifluoromethoxy)ethyl]ethane-1,2-diamine?
N'-cyclopentyl-N'-propan-2-yl-N-[2-(trifluoromethoxy)ethyl]ethane-1,2-diamine has a molecular weight of 282.35 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N'-propan-2-yl-N-[2-(trifluoromethoxy)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 176601790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).