2-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine

C13H25F3N2 — CID 55010958

IUPAC2-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine
SMILESCCCN(CC(F)(F)F)C1CCCCCC1CN
InChIInChI=1S/C13H25F3N2/c1-2-8-18(10-13(14,15)16)12-7-5-3-4-6-11(12)9-17/h11-12H,2-10,17H2,1H3
InChIKeyUZKZPNZIUCIHFR-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.17
Rot. Bonds5

About 2-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine

2-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine (PubChem CID 55010958) has the molecular formula C13H25F3N2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine
PubChem CID55010958
Molecular FormulaC13H25F3N2
Molecular Weight266.35 g/mol
Exact Mass266.20
IUPAC Name2-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine
SMILESCCCN(CC(F)(F)F)C1CCCCCC1CN
InChIInChI=1S/C13H25F3N2/c1-2-8-18(10-13(14,15)16)12-7-5-3-4-6-11(12)9-17/h11-12H,2-10,17H2,1H3
InChIKeyUZKZPNZIUCIHFR-UHFFFAOYSA-N
XLogP3.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine (CID 55010958) is 2-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine is CCCN(CC(F)(F)F)C1CCCCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine?
The InChIKey is UZKZPNZIUCIHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2/c1-2-8-18(10-13(14,15)16)12-7-5-3-4-6-11(12)9-17/h11-12H,2-10,17H2,1H3.
What are the key properties of 2-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine?
2-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine has a molecular weight of 266.35 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine is sourced from PubChem (CID 55010958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).