N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]propan-1-amine

C14H26F3NO — CID 66274646

IUPACN-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]propan-1-amine
SMILESCCCNCC1(OC(C)C(F)(F)F)CCCCCC1
InChIInChI=1S/C14H26F3NO/c1-3-10-18-11-13(8-6-4-5-7-9-13)19-12(2)14(15,16)17/h12,18H,3-11H2,1-2H3
InChIKeyUGUVQEYYIWYYMQ-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.05
Rot. Bonds6

About N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]propan-1-amine

N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]propan-1-amine (PubChem CID 66274646) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]propan-1-amine
PubChem CID66274646
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC NameN-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]propan-1-amine
SMILESCCCNCC1(OC(C)C(F)(F)F)CCCCCC1
InChIInChI=1S/C14H26F3NO/c1-3-10-18-11-13(8-6-4-5-7-9-13)19-12(2)14(15,16)17/h12,18H,3-11H2,1-2H3
InChIKeyUGUVQEYYIWYYMQ-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]propan-1-amine (CID 66274646) is N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]propan-1-amine is CCCNCC1(OC(C)C(F)(F)F)CCCCCC1.
What is the InChIKey of N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]propan-1-amine?
The InChIKey is UGUVQEYYIWYYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-3-10-18-11-13(8-6-4-5-7-9-13)19-12(2)14(15,16)17/h12,18H,3-11H2,1-2H3.
What are the key properties of N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]propan-1-amine?
N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]propan-1-amine has a molecular weight of 281.36 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]propan-1-amine is sourced from PubChem (CID 66274646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).