N-[1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine

C14H24F3NO — CID 103207525

IUPACN-[1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
SMILESCCCNC(COCC(F)(F)F)C1=CCCCCC1
InChIInChI=1S/C14H24F3NO/c1-2-9-18-13(10-19-11-14(15,16)17)12-7-5-3-4-6-8-12/h7,13,18H,2-6,8-11H2,1H3
InChIKeyMLINRFYWWWLUPO-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.82
Rot. Bonds7

About N-[1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine

N-[1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine (PubChem CID 103207525) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is N-[1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
PubChem CID103207525
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC NameN-[1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
SMILESCCCNC(COCC(F)(F)F)C1=CCCCCC1
InChIInChI=1S/C14H24F3NO/c1-2-9-18-13(10-19-11-14(15,16)17)12-7-5-3-4-6-8-12/h7,13,18H,2-6,8-11H2,1H3
InChIKeyMLINRFYWWWLUPO-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(Cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207498
1-(cyclohexen-1-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207501
1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine
CID 103207502
1-(cyclohexen-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207503
1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine
CID 103207504
1-(cyclohexen-1-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207505
1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine
CID 103207506
1-(cyclohexen-1-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207507
1-(cyclopenten-1-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207511
1-(cyclopenten-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine
CID 103207512
1-(cyclopenten-1-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207513
1-(cyclopenten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207514

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The IUPAC name of N-[1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine (CID 103207525) is N-[1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine is CCCNC(COCC(F)(F)F)C1=CCCCCC1.
What is the InChIKey of N-[1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The InChIKey is MLINRFYWWWLUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c1-2-9-18-13(10-19-11-14(15,16)17)12-7-5-3-4-6-8-12/h7,13,18H,2-6,8-11H2,1H3.
What are the key properties of N-[1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
N-[1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine has a molecular weight of 279.35 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine is sourced from PubChem (CID 103207525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).