N-propyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine

C12H24F3NO — CID 54961769

IUPACN-propyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
SMILESCCCNC(CC)CCCCOCC(F)(F)F
InChIInChI=1S/C12H24F3NO/c1-3-8-16-11(4-2)7-5-6-9-17-10-12(13,14)15/h11,16H,3-10H2,1-2H3
InChIKeyKPTYNMJBKVPRGP-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.51
Rot. Bonds10

About N-propyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine

N-propyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine (PubChem CID 54961769) has the molecular formula C12H24F3NO and a molecular weight of 255.32 g/mol. Its IUPAC name is N-propyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine.

Molecular Properties

Compound NameN-propyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
PubChem CID54961769
Molecular FormulaC12H24F3NO
Molecular Weight255.32 g/mol
Exact Mass255.18
IUPAC NameN-propyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
SMILESCCCNC(CC)CCCCOCC(F)(F)F
InChIInChI=1S/C12H24F3NO/c1-3-8-16-11(4-2)7-5-6-9-17-10-12(13,14)15/h11,16H,3-10H2,1-2H3
InChIKeyKPTYNMJBKVPRGP-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.51
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-5-(2-methylpropoxy)-N-propan-2-ylpentan-1-amine
CID 126619717
5-ethoxy-3,3-difluoro-N-propan-2-ylpentan-1-amine
CID 146587519
N-[(2S)-butan-2-yl]-3,3-difluoro-5-propan-2-yloxypentan-1-amine
CID 173769374
(2S)-2-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
CID 29077847
(2R)-2-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
CID 29077849
2-[2-(2,2,2-Trifluoroethoxy)ethyl]piperidine
CID 43149931
N-butyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435241
N-ethyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435888
N-heptan-2-yl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43748954
N-pentyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43748955
N-hexyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43748961
N-heptyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43748974

Frequently Asked Questions

What is the IUPAC name of N-propyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine?
The IUPAC name of N-propyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine (CID 54961769) is N-propyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine.
What is the SMILES notation for N-propyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine?
The canonical SMILES for N-propyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine is CCCNC(CC)CCCCOCC(F)(F)F.
What is the InChIKey of N-propyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine?
The InChIKey is KPTYNMJBKVPRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO/c1-3-8-16-11(4-2)7-5-6-9-17-10-12(13,14)15/h11,16H,3-10H2,1-2H3.
What are the key properties of N-propyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine?
N-propyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine has a molecular weight of 255.32 g/mol, XLogP of 3.51, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine is sourced from PubChem (CID 54961769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).