2,2-dimethyl-N-propyl-5-(4,4,4-trifluorobutoxy)cyclopentan-1-amine

C14H26F3NO — CID 82789739

IUPAC2,2-dimethyl-N-propyl-5-(4,4,4-trifluorobutoxy)cyclopentan-1-amine
SMILESCCCNC1C(OCCCC(F)(F)F)CCC1(C)C
InChIInChI=1S/C14H26F3NO/c1-4-9-18-12-11(6-8-13(12,2)3)19-10-5-7-14(15,16)17/h11-12,18H,4-10H2,1-3H3
InChIKeyLEOUJIOIUWOLQI-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.90
Rot. Bonds7

About 2,2-dimethyl-N-propyl-5-(4,4,4-trifluorobutoxy)cyclopentan-1-amine

2,2-dimethyl-N-propyl-5-(4,4,4-trifluorobutoxy)cyclopentan-1-amine (PubChem CID 82789739) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-propyl-5-(4,4,4-trifluorobutoxy)cyclopentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-propyl-5-(4,4,4-trifluorobutoxy)cyclopentan-1-amine
PubChem CID82789739
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name2,2-dimethyl-N-propyl-5-(4,4,4-trifluorobutoxy)cyclopentan-1-amine
SMILESCCCNC1C(OCCCC(F)(F)F)CCC1(C)C
InChIInChI=1S/C14H26F3NO/c1-4-9-18-12-11(6-8-13(12,2)3)19-10-5-7-14(15,16)17/h11-12,18H,4-10H2,1-3H3
InChIKeyLEOUJIOIUWOLQI-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.90
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

2,2-dimethyl-N-propyl-5-(2,2,2-trifluoroethoxy)cyclopentan-1-amine
CID 79859877
2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]-N-propylcyclopentan-1-amine
CID 79857297
5-butoxy-N,2,2-trimethylcyclopentan-1-amine
CID 79857081
2,2-dimethyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine
CID 79836595
5-cyclobutyloxy-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79856523
2,2-dimethyl-5-(oxan-4-ylmethoxy)-N-propylcyclopentan-1-amine
CID 79857761
N-ethyl-2,2-dimethyl-5-(3-methylbutoxy)cyclopentan-1-amine
CID 79856244
N-propyl-3-(4,4,4-trifluorobutoxy)cyclohexan-1-amine
CID 82789902
N-ethyl-6-heptoxy-2,2-dimethylcyclohexan-1-amine
CID 79835866
2,2-dimethyl-5-(3,3,3-trifluoropropoxy)cyclopentan-1-amine
CID 82954432
5-(2-fluoro-3-methylphenoxy)-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 107656973
5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79867191

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-propyl-5-(4,4,4-trifluorobutoxy)cyclopentan-1-amine?
The IUPAC name of 2,2-dimethyl-N-propyl-5-(4,4,4-trifluorobutoxy)cyclopentan-1-amine (CID 82789739) is 2,2-dimethyl-N-propyl-5-(4,4,4-trifluorobutoxy)cyclopentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-propyl-5-(4,4,4-trifluorobutoxy)cyclopentan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-propyl-5-(4,4,4-trifluorobutoxy)cyclopentan-1-amine is CCCNC1C(OCCCC(F)(F)F)CCC1(C)C.
What is the InChIKey of 2,2-dimethyl-N-propyl-5-(4,4,4-trifluorobutoxy)cyclopentan-1-amine?
The InChIKey is LEOUJIOIUWOLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-4-9-18-12-11(6-8-13(12,2)3)19-10-5-7-14(15,16)17/h11-12,18H,4-10H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-propyl-5-(4,4,4-trifluorobutoxy)cyclopentan-1-amine?
2,2-dimethyl-N-propyl-5-(4,4,4-trifluorobutoxy)cyclopentan-1-amine has a molecular weight of 281.36 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-propyl-5-(4,4,4-trifluorobutoxy)cyclopentan-1-amine is sourced from PubChem (CID 82789739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).