2-cyclopentyl-N-propan-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine

C14H26F3NO — CID 112569996

IUPAC2-cyclopentyl-N-propan-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCC(C)NCC(CCOCC(F)(F)F)C1CCCC1
InChIInChI=1S/C14H26F3NO/c1-11(2)18-9-13(12-5-3-4-6-12)7-8-19-10-14(15,16)17/h11-13,18H,3-10H2,1-2H3
InChIKeyQNQFIRKCQVSNSN-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.76
Rot. Bonds8

About 2-cyclopentyl-N-propan-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine

2-cyclopentyl-N-propan-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine (PubChem CID 112569996) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-cyclopentyl-N-propan-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine.

Molecular Properties

Compound Name2-cyclopentyl-N-propan-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine
PubChem CID112569996
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name2-cyclopentyl-N-propan-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCC(C)NCC(CCOCC(F)(F)F)C1CCCC1
InChIInChI=1S/C14H26F3NO/c1-11(2)18-9-13(12-5-3-4-6-12)7-8-19-10-14(15,16)17/h11-13,18H,3-10H2,1-2H3
InChIKeyQNQFIRKCQVSNSN-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.76
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

3,3-Difluoro-4-[1-(oxan-3-yl)propan-2-yl]pyrrolidine
CID 156072219
3,3-Difluoro-4-[5-(oxan-3-yl)hexan-2-yl]pyrrolidine
CID 170414141
N-ethyl-2-methyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 54961770
2-methyl-N-propyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 54961771
N-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine
CID 54961820
N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine
CID 54961821
N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 54962221
N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962222
N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962223
N-propan-2-yl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55083200
4-methyl-N-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 55083489
N-ethyl-4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 55084137

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-propan-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The IUPAC name of 2-cyclopentyl-N-propan-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine (CID 112569996) is 2-cyclopentyl-N-propan-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine.
What is the SMILES notation for 2-cyclopentyl-N-propan-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The canonical SMILES for 2-cyclopentyl-N-propan-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine is CC(C)NCC(CCOCC(F)(F)F)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-N-propan-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The InChIKey is QNQFIRKCQVSNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-11(2)18-9-13(12-5-3-4-6-12)7-8-19-10-14(15,16)17/h11-13,18H,3-10H2,1-2H3.
What are the key properties of 2-cyclopentyl-N-propan-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
2-cyclopentyl-N-propan-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine has a molecular weight of 281.36 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-propan-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine is sourced from PubChem (CID 112569996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).