N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]pentan-1-amine

C11H22F3NO — CID 66276205

IUPACN-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]pentan-1-amine
SMILESCCCCCNCC(C)OC(C)C(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-4-5-6-7-15-8-9(2)16-10(3)11(12,13)14/h9-10,15H,4-8H2,1-3H3
InChIKeyCPZNFNDLQZPARF-UHFFFAOYSA-N
MW241.30 g/mol
LogP3.12
Rot. Bonds8

About N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]pentan-1-amine

N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]pentan-1-amine (PubChem CID 66276205) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]pentan-1-amine.

Molecular Properties

Compound NameN-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]pentan-1-amine
PubChem CID66276205
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC NameN-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]pentan-1-amine
SMILESCCCCCNCC(C)OC(C)C(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-4-5-6-7-15-8-9(2)16-10(3)11(12,13)14/h9-10,15H,4-8H2,1-3H3
InChIKeyCPZNFNDLQZPARF-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 53.12
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

N-[2-(2,2,2-trifluoroethoxy)propyl]butan-1-amine
CID 62567250
N-[2-(3,3,3-trifluoropropoxy)propyl]pentan-1-amine
CID 82959356
N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]hexan-1-amine
CID 66276841
1,1,1-trifluoro-3-(pentylamino)propan-2-ol
CID 63900220
N-[2-(2-ethoxyethoxy)propyl]pentan-1-amine
CID 62565008
2,3-dimethyl-N-pentylbutan-1-amine
CID 64570276
2-methyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]propan-2-amine
CID 66275746
N-(2,3-dimethylbutyl)octan-1-amine
CID 64568463
2-butan-2-yloxy-N-propylpropan-1-amine
CID 62453626
N-(2-prop-2-enoxypropyl)pentan-1-amine
CID 62571759
1-(octadecylamino)butan-2-ol
CID 174541083
N-[2-(4-fluorophenoxy)propyl]pentan-1-amine
CID 62570899

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]pentan-1-amine?
The IUPAC name of N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]pentan-1-amine (CID 66276205) is N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]pentan-1-amine.
What is the SMILES notation for N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]pentan-1-amine?
The canonical SMILES for N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]pentan-1-amine is CCCCCNCC(C)OC(C)C(F)(F)F.
What is the InChIKey of N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]pentan-1-amine?
The InChIKey is CPZNFNDLQZPARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-4-5-6-7-15-8-9(2)16-10(3)11(12,13)14/h9-10,15H,4-8H2,1-3H3.
What are the key properties of N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]pentan-1-amine?
N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]pentan-1-amine has a molecular weight of 241.30 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]pentan-1-amine is sourced from PubChem (CID 66276205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).